SCHEMBL11325316

SCHEMBL11325316

C=CC(=O)OC(C)N(C(C)O)C(C)OC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.31
ALDH1A1 P00352 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17764938 0.96 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11473342 0.89 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL5438217 0.87 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8603913 0.85 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17764944 0.81 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11348750 0.79 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15114 0.78 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11456917 0.78 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11695477 0.77 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
Fluoride SCHEMBL1303032 0.77 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4115232-A ACTINIC RADIATION ROHM AND HAAS COMPANY (US) 1978-09-19 US claimed
US-4277319-A N-SUBSTITUTED ACRYOYLOXYETHYLAMINES ROHM AND HAAS COMPANY (US) 1981-07-07 US disclosed
US-4115232-A ACTINIC RADIATION ROHM AND HAAS COMPANY (US) 1978-09-19 US disclosed
US-4001304-A RADIATION CURABLE COATINGS ROHM AND HAAS COMPANY (US) 1977-01-04 US disclosed