SCHEMBL23256183

SCHEMBL23256183

C=C/C(=C(/F)CC)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL23255962 0.77
SCHEMBL19188038 0.76 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL22084553 0.76 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL21315946 0.73 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL23256587 0.72 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL22083845 0.69 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL20036840 0.69
SCHEMBL14891291 0.69
SCHEMBL14891292 0.69
SCHEMBL24368263 0.69

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
WO-2021076890-A1 INHIBITING HUMAN INTEGRIN α4β7 MORPHIC THERAPEUTIC, INC. (US) 2021-04-22 WO disclosed