SCHEMBL17870974

SCHEMBL17870974

C[C@@H]1CCCC[C@@H]1[C]1CCCCC1(C)[C@@H]1CCCC[C@@H]1C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.31

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
SCHEMBL29177054 0.79 HTT (0.32)
SCHEMBL3857564 0.70 CYP19A1 (0.49) CYP19A1
SCHEMBL17870973 0.70
SCHEMBL9418504 0.67 CYP19A1 (0.46) CYP19A1
SCHEMBL9418511 0.67 CYP19A1 (0.46) CYP19A1
SCHEMBL17835356 0.66
SCHEMBL17299248 0.65 CYP19A1 (0.54) CYP19A1
SCHEMBL12883279 0.65 CYP19A1 (0.54) CYP19A1
SCHEMBL6240340 0.63 CA1 (0.37)
SCHEMBL6015977 0.61 KMT2A (0.39)

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-3236752-A2 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2017-11-01 EP disclosed
WO-2016102435-A2 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-30 WO disclosed