SCHEMBL6561680

SCHEMBL6561680

Cc1ccc(C(=O)O)s1.[LiH]

nearest known ligand 0.95

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.95
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 4/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.52
LIG1 P18858 1/20 0.52
HPGD P15428 1/20 0.48
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL77302 0.98
SCHEMBL29287170 0.95 DAO (0.95) DAOALDH1A1KMT2APOLBTDP1
Hydrochloric Acid SCHEMBL3049773 0.95 DAO (0.95) DAOALDH1A1KMT2APOLBTDP1
Formaldehyde SCHEMBL27454853 0.93 DAO (0.91) DAOALDH1A1KMT2APOLBTDP1
SCHEMBL7783292 0.87 DAO (0.80) DAOALDH1A1KMT2APOLBTDP1
SCHEMBL6487220 0.85 DAO (0.76) DAOALDH1A1KMT2APOLBPKM
SCHEMBL20370914 0.83 DAO (0.73) DAOALDH1A1KMT2APOLBPKM
Succinimide SCHEMBL8708587 0.81 DAO (0.69) DAOALDH1A1KMT2APOLBTDP1
SCHEMBL7043583 0.79 DAO (0.68) DAOALDH1A1KMT2APOLBTDP1
SCHEMBL70493 0.79 DAO (0.67) DAOALDH1A1KMT2APOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952997-B1 POLYMERIZATION OF OLEFINS DU PONT (US) 2004-08-11 EP disclosed
US-6613915-B1 Nickel (II) complexes of certain monoanionic bidentate ligands; pyrrole-2-imine ligand intermediate E. I. DU PONT DE NEMOURS AND COMPANY 2003-09-02 US disclosed
US-6174975-B1 ADDITION POLYMERIZATION, CATALYSTS AND COORDINATION COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY 2001-01-16 US disclosed
EP-0952997-A1 POLYMERIZATION OF OLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-03 EP disclosed
WO-1998030609-A1 POLYMERIZATION OF OLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-07-16 WO disclosed