SCHEMBL8180909

SCHEMBL8180909

CC(N=C=S)(N=C=S)SC(C)(N=C=S)N=C=S

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL11583416 0.71
SCHEMBL8762363 0.69
SCHEMBL330601 0.69
SCHEMBL8763359 0.69 ALDH1A1 (0.38) ALDH1A1
SCHEMBL23449323 0.65
SCHEMBL17163000 0.65
SCHEMBL11730186 0.65 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8764127 0.62 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11414987 0.61
SCHEMBL30484200 0.61

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-0676429-B1 Composition for urethane-based plastic lens MITSUI CHEMICALS INC (JP) 2000-12-27 EP disclosed
US-5693738-A REACTING AN ISOCYANATE AND/OR AN ISOTHIOCYANATE COMPOUND WITH A HYDROXYL AND/OR MERCAPTO-CONTAINING COMPOUND IN THE PRESENCE OF A COMPLEX OF A TERTIARY AMINE AND A LEWIS ACID MITSUI TOATSU CHEMICALS, INC. (JP) 1997-12-02 US disclosed
EP-0676429-A2 Composition for urethane-base plastic lens MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-10-11 EP disclosed