SCHEMBL4451728

SCHEMBL4451728

CP(=O)(OC1CC1)OC1CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
INPP5A Q14642 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL575222 0.88 ACHE (0.58) ACHENPSR1
SCHEMBL575180 0.87 ACHE (0.38) ACHE
SCHEMBL585584 0.86 ACHE (0.61) ACHENPSR1
SCHEMBL5805265 0.78 ACHE (0.35) ACHE
SCHEMBL575346 0.77 ACHE (0.34) ACHE
SCHEMBL575247 0.76 ACHE (0.52) ACHENPSR1
SCHEMBL575336 0.75 ACHE (0.50) ACHENPSR1
SCHEMBL575308 0.75 ACHE (0.55) ACHENPSR1
SCHEMBL159142 0.73 INPP5A (0.37) ACHEINPP5A
SCHEMBL3896476 0.71 ACHE (0.34) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103874697-A Dibenzooxepin derivative KYOWA HAKKO KIRIN CO LTD 2014-06-18 CN disclosed
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed