SCHEMBL2816266

SCHEMBL2816266

CCCCCCCCCCCCCCC=C(I)C1CC(=O)OC1=O.CCCCCCCCCCCCCCCCC=CC1CC(=O)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
TYR P14679 1/20 0.33
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
CDC25C P30307 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
TRPV1 Q8NER1 2/20 0.31
ALOX5 P09917 2/20 0.31
EP300 Q09472 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
SCHEMBL17728124 0.90 ALDH1A1 (0.51) ALDH1A1TSHRTYRCDC25ACDC25B
SCHEMBL22960791 0.90 ALDH1A1 (0.51) ALDH1A1TSHRTYRCDC25ACDC25B
SCHEMBL2672102 0.90 ALDH1A1 (0.51) ALDH1A1TSHRTYRCDC25ACDC25B
SCHEMBL10531996 0.90 ALDH1A1 (0.51) ALDH1A1TSHRTYRCDC25ACDC25B
Methyl Alcohol SCHEMBL29043083 0.85 ALDH1A1 (0.61) ALDH1A1TSHRTYRCDC25ACDC25B
SCHEMBL23920962 0.85 ALDH1A1 (0.64) ALDH1A1TSHRTYRCDC25ACDC25B
SCHEMBL3091639 0.85 ALDH1A1 (0.64) ALDH1A1TSHRTYRCDC25ACDC25B
SCHEMBL3401525 0.85 ALDH1A1 (0.64) ALDH1A1TSHRTYRCDC25ACDC25B
SCHEMBL8529716 0.85 ALDH1A1 (0.64) ALDH1A1TSHRTYRCDC25ACDC25B
SCHEMBL9419795 0.85 ALDH1A1 (0.64) ALDH1A1TSHRTYRCDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414450-B1 MALODOR ABSORBENT POLYMER AND FIBER CELLRESIN TECH LLC (US) 2014-05-07 EP disclosed
US-20120301595-A1 Malodor Absorbent Polymer and Fiber CELLRESIN TECHNOLOGIES, LLC (US) 2012-11-29 US disclosed
US-8241747-B2 Malodor absorbent polymer and fiber CELLRESIN TECHNOLOGIES, LLC (US) 2012-08-14 US disclosed
US-20100247825-A1 MALODOR ABSORBENT POLYMER AND FIBER CELLRESIN TECHNOLOGIES, LLC 2010-09-30 US disclosed
US-20100247826-A1 Malodor Absorbent Polymer and Fiber CELLRESIN TECHNOLOGIES, LLC (US) 2010-09-30 US disclosed