SCHEMBL11897516

SCHEMBL11897516

CC(C)C(O)(CC/C=C/CCC(O)(C(C)C)C(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 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
SCHEMBL11897517 1.00 ALDH1A1 (0.33) ALDH1A1CYP2C19
SCHEMBL11897283 0.79 TSHR (0.33) ALDH1A1CYP2C19
SCHEMBL26102541 0.73 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL26105329 0.71 ALDH1A1 (0.37) ALDH1A1CYP2C19
SCHEMBL26102924 0.71 FDPS (0.42) ALDH1A1CYP2C19
SCHEMBL28823887 0.71 ALDH1A1 (0.37) ALDH1A1CYP2C19
SCHEMBL26104448 0.71 ALDH1A1 (0.37) ALDH1A1CYP2C19
SCHEMBL10685286 0.67 FDPS (0.39) ALDH1A1CYP2C19
SCHEMBL8529502 0.65
SCHEMBL26101033 0.65 FDPS (0.48)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011664-B2 Functionalized nitrile rubbers and the production thereof ARLANXEO DEUTSCHLAND GMBH (DE) 2018-07-03 US disclosed
US-20170190806-A1 FUNCTIONALISED NITRILE RUBBERS AND THE PRODUCTION THEREOF LANXESS DEUTSCHLAND GMBH (DE) 2017-07-06 US disclosed
US-20170190806-A1 FUNCTIONALISED NITRILE RUBBERS AND THE PRODUCTION THEREOF LANXESS DEUTSCHLAND GMBH (DE) 2017-07-06 US disclosed
EP-2484700-B1 Functionalised nitrile rubbers and their manufacture LANXESS DEUTSCHLAND GMBH (DE) 2013-10-09 EP disclosed
EP-2484700-A1 Functionalised nitrile rubbers and their manufacture LANXESS Deutschland GmbH (DE) 2012-08-08 EP disclosed
EP-2484700-A1 Functionalised nitrile rubbers and their manufacture LANXESS Deutschland GmbH (DE) 2012-08-08 EP disclosed