SCHEMBL29324422

SCHEMBL29324422

CCC1CC=C(c2ccc(CCC3CCCC3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.33
TRPV1 Q8NER1 1/20 0.31
ESR2 Q92731 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
SCHEMBL29324365 0.88 FEN1 (0.36) CELTRPV1ESR2
SCHEMBL29324750 0.88 CEL (0.30) CEL
SCHEMBL12717745 0.85
SCHEMBL9406310 0.84 ESR2 (0.39) TRPV1ESR2
SCHEMBL12717896 0.83
SCHEMBL29324433 0.83 CEL (0.36) CEL
SCHEMBL12738332 0.81 HTR2A (0.30)
SCHEMBL12717915 0.81
SCHEMBL12738303 0.81
SCHEMBL12718532 0.81 CCNT1 (0.31)

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
EP-4400561-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-07-17 EP disclosed