SCHEMBL537100

SCHEMBL537100

OC1CCCC12CCCCC2

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10747441 1.00 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13762475 0.97 TSHR (0.30)
SCHEMBL22447816 0.94 TSHR (0.35) ALDH1A1
SCHEMBL20869320 0.94 TSHR (0.35) ALDH1A1
SCHEMBL14231468 0.91 TSHR (0.37)
SCHEMBL17971807 0.91
SCHEMBL26984763 0.91
SCHEMBL12265272 0.88
SCHEMBL22483057 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1555768 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 CN disclosed
EP-2779830-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS Deutschland GmbH (DE) 2014-09-24 EP disclosed
WO-2013072427-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2013-05-23 WO disclosed
EP-2413697-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS Deutschland GmbH (DE) 2012-02-08 EP disclosed
WO-2010112387-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2010-10-07 WO disclosed