SCHEMBL28155458

SCHEMBL28155458

CC(C=O)=CN(C(C)C)C(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL15771139 0.72
SCHEMBL15770544 0.72
SCHEMBL15770545 0.72
SCHEMBL10446389 0.71 ALOX15 (0.30) ALOX15TSHR
SCHEMBL419480 0.69
SCHEMBL12547389 0.69
SCHEMBL687612 0.69
SCHEMBL23515765 0.67
SCHEMBL3278616 0.67 PTGS1 (0.32)
SCHEMBL15015832 0.65

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
CN-104876861-B Method for producing 2-chloro nicotinic acid 上海泰禾国际贸易有限公司 2017-05-24 CN claimed
CN-104876861-B Method for producing 2-chloro nicotinic acid 上海泰禾国际贸易有限公司 2017-05-24 CN disclosed