SCHEMBL818288

SCHEMBL818288

O=C(O)C1=C(C(=O)O)C=CCC=C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 1/20 0.35
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4574682 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7531916 0.71
SCHEMBL4827962 0.70 PYGM (0.43) ALDH1A1ALOX15CYP1A2
Bicarbonate SCHEMBL6454693 0.69
SCHEMBL514533 0.69 TSHR (0.35) ALDH1A1ALOX15CYP1A2TP53TSHR
SCHEMBL514534 0.69 TSHR (0.35) ALDH1A1ALOX15CYP1A2TP53TSHR
SCHEMBL818444 0.69 TSHR (0.39) ALDH1A1TSHR
SCHEMBL934175 0.67 PYGM (0.32) ALDH1A1
Bicarbonate SCHEMBL7922452 0.66 CA1 (0.46)
SCHEMBL7626522 0.66 MAPT (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021252169-A1 METHODS OF MANUFACTURE OF DIANHYDRIDES CHAULAGAIN MANI (US) 2021-12-16 WO disclosed
US-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed