SCHEMBL9564051

SCHEMBL9564051

CC(CO)CC(C)OCCOO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL277713 0.81
Methyl Alcohol SCHEMBL9418823 0.79 TSHR (0.32) TSHR
SCHEMBL9860762 0.71 TDP1 (0.46)
SCHEMBL7790373 0.70 TDP1 (0.34)
SCHEMBL278028 0.70 TDP1 (0.43)
Butyl Alcohol SCHEMBL9418825 0.69 ALDH1A1 (0.42) TSHR
SCHEMBL28173361 0.69
SCHEMBL626551 0.69
SCHEMBL7860956 0.68 TDP1 (0.42) TSHR
SCHEMBL45749 0.66

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-0527613-A2 Preparation of foams using polyfunctional organic acids Huntsman Corporation (US) 1993-02-17 EP claimed
US-5093382-A Polyamideether copolymers; generated carbon dioxide blowing agent TEXACO CHEMICAL COMPANY (US) 1992-03-03 US claimed