SCHEMBL9703968

SCHEMBL9703968

C=C(C)C(=O)OCC(C)(C)COOC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.39
SERPINE1 P05121 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
SCHEMBL15337 0.88 TSHR (0.50) TSHRALDH1A1THRBSERPINE1
SCHEMBL28087702 0.85 TSHR (0.41) TSHRALDH1A1THRBSERPINE1
SCHEMBL750628 0.84 TSHR (0.40) TSHRALDH1A1THRBSERPINE1
SCHEMBL4907360 0.84 THRB (0.46) TSHRALDH1A1THRBSERPINE1
SCHEMBL9703471 0.83 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL11682314 0.82 TSHR (0.45) TSHRALDH1A1THRBSERPINE1
SCHEMBL9576258 0.82 THRB (0.47) TSHRALDH1A1THRBSERPINE1
SCHEMBL8773894 0.82 THRB (0.57) TSHRALDH1A1THRBSERPINE1
Methacrylic Acid SCHEMBL28241961 0.82 TSHR (0.45) TSHRALDH1A1THRBSERPINE1
SCHEMBL18159068 0.82 TSHR (0.39) TSHRALDH1A1THRBSERPINE1

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
EP-0222059-B1 IMPROVED RADIATION-HARDENABLE DILUENTS HENKEL CORPORATION (a Delaware corp.) (US) 1992-07-08 EP claimed