SCHEMBL21386541

SCHEMBL21386541

CCc1c(C)ccc(CCc2ccc(CCc3ccc(C)c(F)c3C)c(C)c2F)c1F

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL19682257 0.98 NOS3 (0.31) NOS3NOS2
SCHEMBL21387111 0.84
SCHEMBL21577569 0.83 P2RX7 (0.33)
SCHEMBL11891674 0.77 NOS3 (0.40) NOS3NOS2
SCHEMBL22566467 0.75 TAAR1 (0.31)
SCHEMBL19845808 0.74 LPL (0.36)
SCHEMBL18364549 0.73 CTSL (0.37)
SCHEMBL25944918 0.73 TYR (0.47)
SCHEMBL27073675 0.72 P2RX7 (0.36)
SCHEMBL21095878 0.71

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 4 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
EP-3543314-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-09-09 EP disclosed
EP-3543314-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2019-09-25 EP disclosed