SCHEMBL8304410

SCHEMBL8304410

CC(C)C(C)COCCO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 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
SCHEMBL28754918 0.95 MEN1 (0.52) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL27642083 0.89 TSHR (0.50) TSHRMAPK1ALDH1A1MEN1KMT2A
Triethylene Glycol SCHEMBL10835139 0.84 TSHR (0.63) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL28125547 0.82 TSHR (0.43) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL23250931 0.79 TSHR (0.45) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL262494 0.78
SCHEMBL7968375 0.78
SCHEMBL25656908 0.78 TSHR (0.50) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL11593290 0.77 TSHR (0.43) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL10713744 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102549499-B Dry film photoresist KOLON INC 2013-09-11 CN disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed