SCHEMBL9756340

SCHEMBL9756340

C=CSCCOCC1CO1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.38

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
SCHEMBL18470518 0.77 TSHR (0.62) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL1402237 0.77 TSHR (0.62) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
Propene SCHEMBL27519439 0.75 TSHR (0.60) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL29217905 0.74 TSHR (0.54) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
Ethylene SCHEMBL27414303 0.74 TSHR (0.71) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL7109410 0.74
SCHEMBL3623295 0.74
SCHEMBL22418810 0.73 TSHR (0.79) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL16684221 0.73 TSHR (0.79) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL17197994 0.73 TSHR (0.79) TSHRALDH1A1SMN1; SMN2TDP1MAPK1

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
EP-0237997-B1 THERMOSETTING RESINS AND ELECTRODEPOSITION COATING COMPOSITIONS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP disclosed
US-4748200-A Thermosetting resins and electrodeposition coating compositions containing the same TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-05-31 US disclosed
EP-0237997-A1 Thermosetting resins and electrodeposition coating compositions containing the same Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP disclosed