SCHEMBL5087080

SCHEMBL5087080

[Li]C1=C(c2ccccc2)C=CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5892367 0.74 CFTR (0.39) ALDH1A1KMT2A
SCHEMBL7638439 0.74 CFTR (0.39) ALDH1A1KMT2A
SCHEMBL19328604 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1485817 0.73 HSD17B10 (0.37) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL11753216 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6441442 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8755017 0.73 ALDH1A1 (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL9065642 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16758189 0.71 ALDH1A1 (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL3373672 0.71 ALDH1A1 (0.33) ALDH1A1

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-1498178-B1 Transition metal complex and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-06-11 EP disclosed
EP-1498178-A2 Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex and process for producing olefin polymers Sumitomo Chemical Company, Limited (JP) 2005-01-19 EP disclosed
EP-0842939-B1 OLEFIN POLYMERIZATION CATALYST CONTAINING A TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6329478-B1 SOLUBILITY IN SATURATED HYDROCARBON SOLVENTS SUMITMO CHEMICAL COMPANY, LIMITED 2001-12-11 US disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed