SCHEMBL4263589

SCHEMBL4263589

CCCCCCCOCC1COc2cscc2O1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.44
S1PR1 P21453 2/20 0.39
SGPL1 O95470 1/20 0.39
TSHR P16473 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
SCHEMBL29829574 1.00 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2S1PR1SGPL1
SCHEMBL4269346 1.00 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2S1PR1SGPL1
SCHEMBL4258515 1.00 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2S1PR1SGPL1
SCHEMBL4257286 1.00 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2S1PR1SGPL1
SCHEMBL4263623 0.99 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2S1PR1SGPL1
SCHEMBL4257136 0.94 SMN1; SMN2 (0.50) ALDH1A1TDP1SMN1; SMN2S1PR1SGPL1
SCHEMBL13701399 0.90 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2S1PR1SGPL1
SCHEMBL4257289 0.89 ALDH1A1 (0.39) ALDH1A1TDP1SMN1; SMN2S1PR1SGPL1
SCHEMBL13701401 0.88 TSHR (0.39) ALDH1A1TDP1SMN1; SMN2S1PR1SGPL1
SCHEMBL13701396 0.88 TSHR (0.39) ALDH1A1TDP1SMN1; SMN2S1PR1SGPL1

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
EP-1327645-B1 Process for the production of neutral poly(ethylenedioxythiophene) and related poly(ethylenedioxythiophenes) STARCK H C GMBH (DE) 2009-10-21 EP disclosed
US-6756473-B2 REACTING WITH OXIDIZER; APPLYING TO SUBSTRATE BAYER AKTIENGESELLSCHAFT (DE) 2004-06-29 US disclosed
US-20030139505-A1 Process for the preparation of neutral polyethylenedioxythiophene, and corresponding polyethylenedioxythiophenes HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2003-07-24 US disclosed
EP-1327645-A1 Process for the production of neutral poly(ethylenedioxythiophene) and related poly(ethylenedioxythiophenes) Bayer Aktiengesellschaft (DE) 2003-07-16 EP disclosed