SCHEMBL9261128

SCHEMBL9261128

C=CCSc1cc(CC=C)c(N)c(CC=C)c1N

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL7125299 0.91
SCHEMBL7124173 0.90 ALDH1A1 (0.34) ALDH1A1HPGD
SCHEMBL7126308 0.85 GABRA1 (0.30)
SCHEMBL10587168 0.80
SCHEMBL28789107 0.80 GABRA1 (0.38)
SCHEMBL9262861 0.77 GABRA1 (0.33)
SCHEMBL10585807 0.75 XDH (0.33) ALDH1A1HPGD
SCHEMBL5984000 0.74 GABRA1 (0.34)
SCHEMBL14816113 0.72 NPSR1 (0.34) ALDH1A1
SCHEMBL10708328 0.71 GABRA1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484572-B1 Aromatic diamines ALBEMARLE CORP (US) 1995-07-05 EP claimed
EP-0484572-A1 Aromatic diamines ALBEMARLE CORPORATION (US) 1992-05-13 EP claimed
US-4973760-A Aromatic diamines ETHYL CORPORATION (US) 1990-11-27 US claimed
EP-0484572-B1 Aromatic diamines ALBEMARLE CORP (US) 1995-07-05 EP disclosed
EP-0484572-A1 Aromatic diamines ALBEMARLE CORPORATION (US) 1992-05-13 EP disclosed
US-5064927-A ROOM TEMPERATURE COATINGS; REACTION INJECTION MOLDING POLYMERS ETHYL CORPORATION (US) 1991-11-12 US disclosed
US-5037995-A Aromatic diamine mixtures ETHYL CORPORATION (US) 1991-08-06 US disclosed
US-4973760-A Aromatic diamines ETHYL CORPORATION (US) 1990-11-27 US disclosed