3-Chloropropanol

3-Chloropropanol

SCHEMBL6901199

CC1COCC(CO)O1.OCCCCl

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.44
CHRM4 P08173 6/20 0.44
CHRM5 P08912 6/20 0.44
CHRM3 P20309 6/20 0.44
CHRM1 P11229 4/20 0.44

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
SCHEMBL343634 0.85
SCHEMBL30896303 0.85
SCHEMBL16037715 0.85
SCHEMBL1077565 0.70 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL1077568 0.70 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL15578861 0.70 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL1077566 0.70 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL15520444 0.69 ALDH1A1 (0.42) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL15520446 0.69 ALDH1A1 (0.42) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL15520445 0.69 ALDH1A1 (0.42) CHRM2CHRM4CHRM5CHRM3CHRM1

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
EP-1446119-A2 COMPOSITIONS COMPRISING IPATROPIUM AND XYLOMETAZOLINE FOR TREATMENT OF THE COMMON COLD Nycomed Danmark ApS (DK) 2004-08-18 EP disclosed
WO-2003024433-A2 COMPOSITIONS FOR TREATMENT OF COMMON COLD, COMPRISING IPRATROPIUM AND XYLOMETAZOLINE NYCOMED DANMARK APS (DK) 2003-03-27 WO disclosed