SCHEMBL692770

SCHEMBL692770

C=C(C)C(=O)OP(=O)(O)OCC(Br)CC

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.31
PLA2G2A P14555 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28221578 0.86 TSHR (0.35) TSHRPLA2G2A
SCHEMBL28345358 0.80 TSHR (0.40) TSHRTHRBPLA2G2AALDH1A1
SCHEMBL872244 0.78 THRB (0.41) TSHRTHRBALDH1A1
SCHEMBL20674 0.76 SMN1; SMN2 (0.38) TSHRALDH1A1
SCHEMBL2567287 0.75 TSHR (0.36) TSHRALDH1A1
SCHEMBL2638491 0.75 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL2567133 0.74 ALDH1A1 (0.38) TSHRTHRBALDH1A1
SCHEMBL1046975 0.74 TSHR (0.42) TSHRTHRBPLA2G2AALDH1A1
SCHEMBL9276375 0.73 ALDH1A1 (0.48) TSHRTHRBALDH1A1
SCHEMBL3322636 0.73 ALDH1A1 (0.37) TSHRTHRBALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112545900-B Dental curable composition containing transition metal adsorbent 株式会社松风 2024-02-13 CN disclosed
US-8957173-B2 Resin product for medical use and respiration-assisting tube NEXT21 K.K. (JP) 2015-02-17 US disclosed
CN-104185468-A One-pack dental adhesive KURARAY NORITAKE DENTAL INC 2014-12-03 CN disclosed
US-20120097169-A1 Resin Product For Medical Use And Respiration-Assisting Tube NEXT21 K.K. (JP) 2012-04-26 US disclosed
EP-2422825-A1 RESIN PRODUCT FOR MEDICAL USE AND RESPIRATION-ASSISTING TUBE Next 21 K.K. (JP) 2012-02-29 EP disclosed
CN-1917845-B One-pack type adhesive composition for dental use KURARAY MEDICAL INC 2010-04-28 CN disclosed
CN-1917845-A One-pack type adhesive composition for dental use KURARAY MEDICAL INC (JP) 2007-02-21 CN disclosed