SCHEMBL30893100

SCHEMBL30893100

CCCCCC(C)(C)c1ccc(C)cc1O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.55
CNR1 P21554 15/20 0.55
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL5012934 1.00 CNR2 (0.55) CNR2CNR1ESR1ESR2
Potassium SCHEMBL29477962 0.98 CNR2 (0.53) CNR2CNR1ESR1ESR2
SCHEMBL29477969 0.98 CNR2 (0.53) CNR2CNR1ESR1ESR2
SCHEMBL28653162 0.95 CNR2 (0.49) CNR2CNR1ESR1ESR2
SCHEMBL29477938 0.93 CNR2 (0.48) CNR2CNR1ESR1ESR2
Potassium SCHEMBL29477994 0.93 CNR2 (0.48) CNR2CNR1ESR1ESR2
SCHEMBL30893101 0.88 CNR1 (0.48) CNR2CNR1ESR1ESR2
SCHEMBL6943692 0.87 CNR2 (0.55) CNR2CNR1ESR1ESR2
SCHEMBL29477964 0.86 CNR1 (0.47) CNR2CNR1ESR1ESR2
Potassium SCHEMBL29478013 0.86 CNR1 (0.47) CNR2CNR1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423683-B Method for producing 4-hydroxy-2-methylbenzoic acid 本州化学工业株式会社 2024-06-18 CN claimed
CN-113423683-B Method for producing 4-hydroxy-2-methylbenzoic acid 本州化学工业株式会社 2024-06-18 CN disclosed