SCHEMBL1046975

SCHEMBL1046975

C=C(C)C(=O)OCCC(Br)COP(=O)(O)OCC(Br)CCOC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.35
BTN3A1 O00481 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLA2G2A P14555 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1426506 0.91 TSHR (0.42) TSHRTHRBALDH1A1BTN3A1POLB
SCHEMBL3447863 0.83 TSHR (0.50) TSHRTHRBPLA2G2A
SCHEMBL28221578 0.79 TSHR (0.35) TSHRPLA2G2A
SCHEMBL31091982 0.77 THRB (0.55) TSHRTHRBALDH1A1BTN3A1POLB
SCHEMBL15194 0.77 THRB (0.55) TSHRTHRBALDH1A1BTN3A1POLB
Ammonia Solution, Strong SCHEMBL18140715 0.75 THRB (0.53) TSHRTHRBALDH1A1BTN3A1POLB
Phosphoric Acid SCHEMBL11307097 0.75 THRB (0.53) TSHRTHRBALDH1A1BTN3A1POLB
SCHEMBL1447880 0.75 THRB (0.52) TSHRTHRBALDH1A1POLBAPEX1
Bromoethane SCHEMBL3220997 0.74 THRB (0.53) TSHRTHRBALDH1A1BTN3A1POLB
SCHEMBL27969779 0.74 CYP3A4 (0.49) TSHRTHRBALDH1A1TDP1PLA2G2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11998417-B2 Process for producing a surface-modified dental article SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-06-04 US disclosed
EP-4035649-B1 DENTAL ADHESIVE COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-07-26 EP disclosed
US-20230225829-A1 PROCESS FOR PRODUCING A SURFACE-MODIFIED DENTAL ARTICLE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-07-20 US disclosed
EP-4175584-A1 PROCESS FOR PRODUCING A SURFACE-MODIFIED DENTAL ARTICLE 3M Innovative Properties Company (US) 2023-05-10 EP disclosed
EP-3508190-B1 LIGHT CURABLE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2022-02-09 EP disclosed
EP-3706708-B1 RADIOPAQUE DENTAL COMPOSITION 3M INNOVATIVE PROPERTIES CO (US) 2022-01-12 EP disclosed
WO-2022003470-A1 PROCESS FOR PRODUCING A SURFACE-MODIFIED DENTAL ARTICLE 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-01-06 WO disclosed
US-20210395419-A1 STORAGE STABLE TWO-COMPONENT DUAL CURE DENTAL COMPOSITION SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2021-12-23 US disclosed
US-11160733-B2 Dental adhesive composition, preparation and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-11-02 US disclosed
EP-3880156-A1 STORAGE STABLE TWO-COMPONENT DUAL CURE DENTAL COMPOSITION 3M Innovative Properties Company (US) 2021-09-22 EP disclosed
EP-2108663-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-2108664-A1 COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-1285947-B1 ANTIMICROBIAL COMPOSITION KURARAY CO (JP) 2008-02-20 EP disclosed
US-20070100020-A1 One-pack type adhesive composition for dental use KURARAY MEDICAL INC. (JP) 2007-05-03 US disclosed
EP-1695685-A1 ONE-PACK TYPE ADHESIVE COMPOSITION FOR DENTAL USE Kuraray Medical Inc. (JP) 2006-08-30 EP disclosed
US-6887920-B2 Fillings and composite dental materials containing the fillings KURARAY CO., LTD. (JP) 2005-05-03 US disclosed
US-20030064102-A1 Antimicrobial Composition NAKATSUKA KAZUMITSU (JP) 2003-04-03 US disclosed
US-20030060533-A1 A metal oxide and a water-soluble metal salt each forming an independent phase; high water resistance and high acid resistance, and high releasing abilities of ions such as fluorine ions KURARAY NORITAKE DENTAL INC. (JP) 2003-03-27 US disclosed
EP-1285947-A1 ANTIMICROBIAL COMPOSITION KURARAY CO., LTD. (JP) 2003-02-26 EP disclosed
EP-1270688-A1 FILLINGS AND COMPOSITE DENTAL MATERIALS CONTAINING THE FILLINGS KURARAY CO., LTD. (JP) 2003-01-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070100020-A1 One-pack type adhesive composition for dental use CDH1, COL1A1, COL2A1 TSHR 4681/4885THRB 3925/4885ALDH1A1 419/4885
US-20210395419-A1 STORAGE STABLE TWO-COMPONENT DUAL CURE DENTAL COMPOSITION DUOX2, GPX4, PRDX2 TSHR 4492/4885THRB 4432/4885ALDH1A1 376/4885
US-20030064102-A1 Antimicrobial Composition AAAS, H1-0, H1-10 TSHR 4699/4885THRB 3108/4885ALDH1A1 1315/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.