SCHEMBL30720495

SCHEMBL30720495

O=CC(C(=O)O)C(=O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL489054 0.75 FFAR3 (0.36) TDP1
SCHEMBL4031782 0.74
SCHEMBL9130419 0.68 LDHA (0.36) LDHASRRKDM4ETSHRTDP1
SCHEMBL7077910 0.67 LDHA (0.47) LDHASRRKDM4ETSHRTDP1
SCHEMBL1162335 0.65
SCHEMBL125701 0.65 LDHA (0.44) LDHASRRTSHRTDP1
Malonic Acid SCHEMBL162459 0.64
SCHEMBL11465675 0.64
SCHEMBL11124915 0.63 LDHA (0.42) LDHASRRTDP1
SCHEMBL21831927 0.63 LDHA (0.42) LDHASRRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 CN disclosed