SCHEMBL9299181

SCHEMBL9299181

C[CH]OC(=O)OCCOCCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
TSHR P16473 6/20 0.42
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
DGKA P23743 1/20 0.37
RARB P10826 1/20 0.36
CES2 O00748 2/20 0.36
ACHE P22303 1/20 0.36
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ESR1 P03372 1/20 0.34

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
SCHEMBL9298725 0.89 ALDH1A1 (0.38) ATMTSHRALDH1A1HPGDTHRB
SCHEMBL444270 0.88 ATM (0.54) ATMTSHRALDH1A1HPGDMAPT
SCHEMBL9462492 0.84 TSHR (0.52) ATMTSHRCYP3A4ALDH1A1HPGD
SCHEMBL9350594 0.84 TSHR (0.52) ATMTSHRCYP3A4ALDH1A1HPGD
SCHEMBL302306 0.84 TSHR (0.52) ATMTSHRCYP3A4ALDH1A1HPGD
SCHEMBL450736 0.82 NAAA (0.50) ATMTSHRCYP3A4ALDH1A1HPGD
SCHEMBL9298820 0.82 ALDH1A1 (0.54) TSHRALDH1A1THRBTP53HIF1A
SCHEMBL1470088 0.82 ALDH1A1 (0.54) ATMTSHRCYP3A4ALDH1A1HPGD
SCHEMBL1469512 0.82 ALDH1A1 (0.54) ATMTSHRCYP3A4ALDH1A1HPGD
SCHEMBL5517476 0.81 NAAA (0.53) ATMTSHRALDH1A1HCAR2DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283326-A Coupling azo and cyanine dyes; colorfastness, heat resistance SANDOZ AG (CH) 1994-02-01 US claimed
US-4837269-A FIBER-REACTIVE DISAZO DYES BASF AKTIENGESELLSCHAFT (DE) 1989-06-06 US claimed
US-4751288-A COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 1988-06-14 US claimed
US-4619992-A IMPROVED COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 1986-10-28 US claimed
US-4496480-A Isothiazolazo dyes having coupling components which are free from unsaturated aliphatic radicals BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US claimed
US-5352774-A Colorfast blue dyes for plastics and synthetic fibers SANDOZ AG (CH) 1994-10-04 US disclosed
US-5283326-A Coupling azo and cyanine dyes; colorfastness, heat resistance SANDOZ AG (CH) 1994-02-01 US disclosed
EP-0269953-B1 THIOPHENE AZO DYES BASF Aktiengesellschaft (DE) 1992-03-25 EP disclosed
EP-0266692-B1 AZO DYES CONTAINING A THIOPHENE GROUP BASF Aktiengesellschaft (DE) 1991-05-08 EP disclosed
EP-0251120-B1 DISAZOTHIOPHENE DYES BASF Aktiengesellschaft (DE) 1990-08-29 EP disclosed
EP-0201896-B1 DYESTUFFS WITH THIOPHENE RESTS BASF Aktiengesellschaft (DE) 1990-05-02 EP disclosed
EP-0251114-B1 THIENOTHIOPHENE DYES BASF Aktiengesellschaft (DE) 1990-05-02 EP disclosed
US-4619992-A IMPROVED COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed
EP-0197471-A1 Azo dyes with thiophene diazo components BASF Aktiengesellschaft (DE) 1986-10-15 EP disclosed
EP-0156216-A1 Isothiazole azo dyestuffs BASF Aktiengesellschaft (DE) 1985-10-02 EP disclosed
EP-0087677-B1 ISOTHIAZOLAZO DYESTUFFS BASF Aktiengesellschaft (DE) 1985-07-17 EP disclosed
US-4496480-A Isothiazolazo dyes having coupling components which are free from unsaturated aliphatic radicals BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US disclosed
EP-0131757-A1 Disazo dyestuffs of the isothiazole series BASF Aktiengesellschaft (DE) 1985-01-23 EP disclosed
EP-0087677-A1 Isothiazolazo dyestuffs BASF Aktiengesellschaft (DE) 1983-09-07 EP disclosed
US-3941791-A OPTICAL BRIGHTENER BASF AKTIENGESELLSCHAFT (DT) 1976-03-02 US disclosed