SCHEMBL8331901

SCHEMBL8331901

O=C1C=C(CCCCCCS)C(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.33
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL8330360 1.00 STAT3 (0.33) STAT3ACHEBACE1
SCHEMBL8326209 0.92
SCHEMBL10428620 0.90 STAT3 (0.39) STAT3ACHEBACE1
SCHEMBL6910095 0.90 STAT3 (0.39) STAT3ACHEBACE1
SCHEMBL549066 0.90 STAT3 (0.39) STAT3ACHEBACE1
SCHEMBL29395797 0.90 STAT3 (0.39) STAT3ACHEBACE1
SCHEMBL10428730 0.90 STAT3 (0.39) STAT3ACHEBACE1
SCHEMBL549041 0.90 STAT3 (0.39) STAT3ACHEBACE1
SCHEMBL548131 0.90 STAT3 (0.39) STAT3ACHEBACE1
SCHEMBL586641 0.90 STAT3 (0.39) STAT3ACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859140-A Method for the production of branched polymerizates ROEHM GMBH CHEMISCHE FABRIK (DE) 1999-01-12 US disclosed
US-5693717-A TWO STAGE COPOLYMERIZATION, CROSSLINKING IN ONE REACTION VESSEL ROEHM GMBH CHEMISCHE FABRIK (DE) 1997-12-02 US disclosed