SCHEMBL28080473

SCHEMBL28080473

CCC(CC)(CC)C(=O)O.CC[N+](CC)(CC)CC(C)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
Pivalate SCHEMBL2354811 0.84 CHRM2 (0.33) CHRM2CHRM1CHRM3
SCHEMBL2347106 0.83 BBOX1 (0.32) CHRM2CHRM1CHRM3
SCHEMBL28831783 0.82 MAPT (0.41) CHRM2CHRM1CHRM3
Tetrylammonium SCHEMBL27685187 0.81 TSHR (0.42)
SCHEMBL1686206 0.78 TSHR (0.44)
Bromide SCHEMBL11753562 0.76 TSHR (0.42)
Iodide SCHEMBL28809261 0.76 TSHR (0.42) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL7831930 0.76 KDM4E (0.44)
Water SCHEMBL10626861 0.76 TSHR (0.42)
Pivalate SCHEMBL2352868 0.74 BBOX1 (0.34)

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
CN-106102910-B For manufacturing the carbon monoxide-olefin polymeric and method of foam 赢创德固赛有限公司 2019-07-05 CN claimed
CN-107922564-A Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate-reactive groups 赢创德固赛有限公司 2018-04-17 CN claimed
CN-106102910-A For manufacturing carbon monoxide-olefin polymeric and the method for foam 气体产品与化学公司 2016-11-09 CN claimed
CN-106102910-B For manufacturing the carbon monoxide-olefin polymeric and method of foam 赢创德固赛有限公司 2019-07-05 CN disclosed
CN-107922564-A Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate-reactive groups 赢创德固赛有限公司 2018-04-17 CN disclosed
CN-106102910-A For manufacturing carbon monoxide-olefin polymeric and the method for foam 气体产品与化学公司 2016-11-09 CN disclosed