Urethane

Urethane

SCHEMBL10696428

C=C(C)C(=O)OC(C)N=C=O.CCOC(N)=O

nearest known ligand 0.43

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
TSHR P16473 4/20 0.37
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL28447020 0.87 TSHR (0.43) TSHRTHRBALDH1A1HPGD
Ether SCHEMBL4103771 0.85 THRB (0.42) TSHRTHRBALDH1A1
SCHEMBL35491 0.84 TSHR (0.39) TSHRALDH1A1
SCHEMBL28445118 0.84 TSHR (0.51) TSHRALDH1A1
SCHEMBL17968253 0.81 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL2030266 0.80 FAAH (0.35) TSHR
SCHEMBL9472415 0.80 TSHR (0.36) TSHRALDH1A1
Urethane SCHEMBL21483479 0.80 ALOX15 (0.54) ALOX15TSHRTHRBALDH1A1HPGD
Methacrylic Acid SCHEMBL27993923 0.80 TSHR (0.36) TSHRALDH1A1
Urethane SCHEMBL4858633 0.79 ALOX15 (0.52) ALOX15TSHRTHRBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4721735-A URETHANE MODIFIED ACRYLATES DENTSPLY RESEARCH AND DEVELOPMENT CORPORATION (US) 1988-01-26 US disclosed