SCHEMBL21753778

SCHEMBL21753778

C=C(OCCN=C=O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP2C9 P11712 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
SCHEMBL27494031 0.84 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10852800 0.81 ALDH1A1 (0.38) ALDH1A1TSHRTHRBEGLN1MAPT
SCHEMBL16124208 0.78 ALDH1A1 (0.52) ALDH1A1TSHRMAPTLMNAHSD17B10
SCHEMBL15966598 0.78 NPSR1 (0.34) ALDH1A1TSHREGLN1MAPTNPSR1
SCHEMBL15966597 0.78 NPSR1 (0.34) ALDH1A1TSHREGLN1MAPTNPSR1
SCHEMBL5866592 0.77 THRB (0.34) ALDH1A1TSHRTHRB
Ether SCHEMBL4103775 0.77 THRB (0.59) ALDH1A1TSHRTHRB
SCHEMBL15715 0.77 THRB (0.48) ALDH1A1TSHRTHRB
SCHEMBL15941866 0.77 THRB (0.48) ALDH1A1TSHRTHRB
Urethane SCHEMBL10696424 0.76 THRB (0.46) ALDH1A1TSHRTHRB

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891472-B2 Composition, production method for composition, and production method for unsaturated compound RESONAC CORPORATION (JP) 2024-02-06 US claimed
CN-116583498-A Blocked isocyanate compound 株式会社力森诺科 2023-08-11 CN claimed
EP-3842414-B1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND SHOWA DENKO KK (JP) 2023-04-05 EP claimed
CN-112533896-B Composition, method for producing composition, and method for producing unsaturated compound 昭和电工株式会社 2023-03-03 CN claimed
EP-3842416-B1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND SHOWA DENKO KK (JP) 2023-03-01 EP claimed
CN-112533895-B Composition, method for producing composition, and method for producing unsaturated compound 昭和电工株式会社 2023-02-17 CN claimed
CN-114929668-A (meth) acrylate compound having isocyanate group and method for producing same 昭和电工株式会社 2022-08-19 CN claimed
US-20220119585-A1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND SHOWA DENKO K.K. (JP) 2022-04-21 US claimed
US-20210276943-A1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND SHOWA DENKO K.K. (JP) 2021-09-09 US claimed
WO-2021141002-A1 (METH)ACRYLIC ACID ESTER COMPOUND HAVING ISOCYANATE GROUP, AND METHOD FOR PRODUCING SAME 昭和電工株式会社 2021-07-15 WO claimed
EP-3842414-A1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND Showa Denko K.K. (JP) 2021-06-30 EP claimed
EP-3842415-A1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND Showa Denko K.K. (JP) 2021-06-30 EP claimed
CN-112533895-A Composition, method for producing composition, and method for producing unsaturated compound 昭和电工株式会社 2021-03-19 CN claimed
CN-112533896-A Composition, method for producing composition, and method for producing unsaturated compound 昭和电工株式会社 2021-03-19 CN claimed
CN-112513009-A Composition, method for producing composition, and method for producing unsaturated compound 昭和电工株式会社 2021-03-16 CN claimed
CN-112469694-A Composition, method for producing composition, and method for producing unsaturated compound 昭和电工株式会社 2021-03-09 CN claimed
WO-2020040045-A1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND 昭和電工株式会社 2020-02-27 WO claimed
WO-2020040050-A1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND 昭和電工株式会社 2020-02-27 WO claimed
WO-2020040048-A1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND 昭和電工株式会社 2020-02-27 WO claimed
WO-2020040049-A1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND 昭和電工株式会社 2020-02-27 WO claimed