SCHEMBL7090752

SCHEMBL7090752

C=C(C)C(=O)OCCO.C=CC(=O)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 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
SCHEMBL8413066 0.85 CHRM2 (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9687198 0.84 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
Trimethylammonium SCHEMBL9079495 0.84 THRB (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28479425 0.83 THRB (0.46) TSHRTHRBALDH1A1
Acrylic Acid SCHEMBL3447729 0.82 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
Acrylic Acid SCHEMBL27980474 0.82 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
Propene SCHEMBL10530371 0.82 THRB (0.52) TSHRTHRBALDH1A1POLBAPEX1
Propene SCHEMBL998377 0.82 THRB (0.52) TSHRTHRBALDH1A1POLBAPEX1
Propene SCHEMBL6739183 0.82 THRB (0.52) TSHRTHRBALDH1A1POLBAPEX1
Propene SCHEMBL10531877 0.82 THRB (0.52) TSHRTHRBALDH1A1POLBAPEX1

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
US-9249249-B2 Light absorbing compounds for optical polymers BAUSCH & LOMB INCORPORATED (US) 2016-02-02 US claimed
CN-109535345-B Method for preparing polymer based on semi-continuous feeding method 苏州大学 2020-11-17 CN disclosed
US-20030010668-A1 Desiccating container for moisture-sensitive material WEST PHARMACEUTICAL SERVICES, INC. 2003-01-16 US disclosed
US-5947274-A Desiccating container for moisture-sensitive material SMITHKLINE BEECHAM P.L.C. (GB) 1999-09-07 US disclosed
US-4791175-A Particulate hydroperoxidized poly-n-vinyl lactam, its preparation and use thereof CIBA-GEIGY CORPORATION (US) 1988-12-13 US disclosed