1,3-Propanediol

1,3-Propanediol

SCHEMBL8401501

C=CC=O.CCOC(C)OCC.OCCCO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
Acrolein SCHEMBL8404934 0.92 LMNA (0.50) LMNATRPA1ALDH1A1TSHR
Acrolein SCHEMBL157907 0.88 LMNA (0.60) LMNATRPA1ALDH1A1TSHR
Acrolein SCHEMBL3930769 0.86 LMNA (0.57) LMNATRPA1ALDH1A1TSHR
Propylene Glycol SCHEMBL9721324 0.85 LMNA (0.46) LMNATRPA1ALDH1A1TSHR
Acrolein SCHEMBL35989 0.84 LMNA (0.55) LMNATRPA1ALDH1A1TSHR
1,3-Propanediol SCHEMBL4129045 0.83 LMNA (0.67) LMNAALDH1A1TSHRCYP4F2CYP4A11
Glycerin SCHEMBL842187 0.83 LMNA (0.44) LMNAALDH1A1
Butanedione SCHEMBL8338208 0.82 LMNA (0.48) LMNATRPA1ALDH1A1TSHR
Ethylene Glycol SCHEMBL9004515 0.77 LMNA (0.63) LMNAALDH1A1
Butadiene SCHEMBL625826 0.76 LMNA (0.71) LMNA

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
US-5985012-A SELF-POLISHING PAINT COMPRISING ANTIFOULING AGENT AND RESIN VEHICLE COMPRISING VINYL POLYMER HAVING PRIMARY AMINE PENDANT GROUPS BOUND BY REACTION WITH PENDANT CARBONYL GROUPS NIPPON PAINT CO., LTD. (JP) 1999-11-16 US disclosed
EP-0849290-A1 RESIN CONTAINING AMINE BONDED THERETO AND ANTIFOULING PAINT Nippon Paint Co., Ltd. (JP) 1998-06-24 EP disclosed