SCHEMBL22666394

SCHEMBL22666394

C=C(C)c1cc(C#Cc2ccc(C3CCC(C)CC3)cc2)cc(F)c1N=C=S

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
P2RY14 Q15391 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
SCHEMBL22666488 0.93 P2RY14 (0.31) P2RY14
SCHEMBL22666448 0.91 HDAC2 (0.33)
SCHEMBL22666481 0.90 ESR2 (0.33) ESR2
SCHEMBL22666480 0.90 ESR2 (0.34) ESR2P2RY14
SCHEMBL22666495 0.90
SCHEMBL21577526 0.89 ESR2 (0.42) ESR2P2RY14
SCHEMBL22666485 0.87 HDAC2 (0.31)
SCHEMBL22666477 0.87 ALDH1A1 (0.39) ESR2
SCHEMBL22666368 0.86 ESR2 (0.30) ESR2
SCHEMBL22666507 0.85 MEN1 (0.33) ESR2

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
EP-3739020-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
EP-3739020-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2020-11-18 EP disclosed