SCHEMBL11041234

SCHEMBL11041234

C=C(C)C(=O)OCCN=C=O.C=C(S)C(=O)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL11040626 0.95 TSHR (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28447019 0.86 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11137061 0.84 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL15715 0.84 THRB (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL15941866 0.84 THRB (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11038043 0.83 TSHR (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28239747 0.82 THRB (0.47) TSHRTHRBALDH1A1POLBAPEX1
Methane SCHEMBL27947537 0.82 THRB (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11041981 0.82 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28445117 0.82 TSHR (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4446175-A ACRYLATE, CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-01 US claimed
US-4436885-A Preparation of isocyanate-functional polymers containing a terminal monosulfide group E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-13 US claimed
US-4351755-A MOISTURE CURABLE COATINGS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-28 US claimed