SCHEMBL67468

SCHEMBL67468

[CH2]c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDO1 P14902 2/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
HSD11B1 P28845 1/20 0.38
NFKB1 P19838 1/20 0.38
KIF11 P52732 1/20 0.38
HTR2C P28335 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2492272 0.80 HSD11B1 (0.46) ALDH1A1TDP1HSD11B1CYP1A2CYP3A4
SCHEMBL2089106 0.79 ALDH1A1 (0.31) ALDH1A1TDP1POLBL3MBTL1TSHR
SCHEMBL5268073 0.79 ALDH1A1 (0.31) ALDH1A1TDP1POLBL3MBTL1TSHR
SCHEMBL63469 0.78 ALDH1A1 (0.52) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL29441997 0.78 ALDH1A1 (0.52) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL476648 0.77 MPL (0.40) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL2036638 0.77 HSD11B1 (0.40) ALDH1A1TDP1POLBL3MBTL1IDO1
Hydrogen Sulfide SCHEMBL28274662 0.76 ALDH1A1 (0.50) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL3249477 0.75 IDO1 (0.48) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL11144791 0.75 LTA4H (0.40) ALDH1A1TDP1POLBL3MBTL1IDO1

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

Appears in 3934 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP claimed
CN-118206748-A PCB electroplating additive and preparation method thereof 广东利尔化学有限公司 2024-06-18 CN claimed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN claimed
EP-3778576-B1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME HANLIM PHARMACEUTICAL CO LTD (KR) 2024-04-17 EP claimed
US-20240094216-A1 ODD CHAIN FATTY ACID THERAPY FOR THE TREATMENT OF MITOCHONDRIAL DISEASES UNIVERSITY OF SOUTH CAROLINA 2024-03-21 US claimed
CN-117486770-A 2-cyanoacrylate compound and preparation method and application thereof 贵州大学 2024-02-02 CN claimed
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US claimed
WO-2023247999-A1 PEPTIDIC PAIN MODULATORS AND METHODS FOR PRODUCING AND USING THE SAME MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2023-12-28 WO claimed
CN-117185983-A Bisoxindole compound, preparation method thereof and application thereof in preparation of antibacterial agent 浙江工业大学 2023-12-08 CN claimed
CN-117024333-A Oxime ether compound containing styryl and preparation method and application thereof 贵州大学 2023-11-10 CN claimed
US-4117128-A SULFONYL BENZOFURANS AND BENZOTHIOPHENES HAVING CORONARY VASODILATOR ACTIVITY SMITHKLINE CORPORATION (US) 1978-09-26 US claimed
US-4115448-A Carbamylguanidine antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-09-19 US claimed
US-4112075-A ANALGESIC, ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1978-09-05 US claimed
US-4110328-A Bis-carbamylguanidinoazaalkane antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-08-29 US claimed
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 US claimed
US-4022897-A 4H-PYRIDO(1,2-A) PYRIMIDIN-4-ONE DERIVATIVES E. R. SQUIBB & SONS, INC. (US) 1977-05-10 US claimed
US-4022962-A DENTAL PLAQUE INHIBITORS COOPER LABORATORIES, INC. (US) 1977-05-10 US claimed
US-4010275-A FURANOSIDES CIBA-GEIGY CORPORATION (US) 1977-03-01 US claimed
US-3957845-A TRIFLUOROMETHYL-SUBSTITUTED PHENYL ACETONITRILES KNOLL A.G. CHEMISCHE FABRIKEN (DT) 1976-05-18 US claimed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 US claimed