SCHEMBL12466957

SCHEMBL12466957

C(OCC1CO1)C1CO1.C=CN

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.64
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 4/20 0.47
MAPK1 P28482 1/20 0.46
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
HIF1A Q16665 1/20 0.33
GLA P06280 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
Butadiene SCHEMBL3743099 0.87 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
Butadiene SCHEMBL28251481 0.87 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
Propene SCHEMBL728661 0.86 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL2464092 0.86 ALDH1A1 (0.65) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
Propene SCHEMBL2776876 0.85 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
Propene SCHEMBL2778270 0.85 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL6450417 0.85 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
Propene SCHEMBL26630 0.85 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
Propene SCHEMBL2777932 0.85 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
Ethylene SCHEMBL217225 0.84 TSHR (0.62) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668222-B1 EPOXY-ADDUCT HARDENING AGENTS DOW GLOBAL TECHNOLOGIES LLC (US) 2015-03-25 EP disclosed
EP-2668222-A1 EPOXY-ADDUCT HARDENING AGENTS Dow Global Technologies LLC (US) 2013-12-04 EP disclosed
US-20130310485-A1 EPOXY-ADDUCT HARDENING AGENTS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-11-21 US disclosed
WO-2012102693-A1 EPOXY-ADDUCT HARDENING AGENTS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-08-02 WO disclosed