SCHEMBL7029095

SCHEMBL7029095

CCCCCCC1(CCCCCC)CNCCN1N

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 8/20 0.39
GNAI3 P08754 8/20 0.39
GNAI1 P63096 8/20 0.39
CYP19A1 P11511 1/20 0.30

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
SCHEMBL7025040 0.93 GNAI3 (0.33) GNAO1GNAI3GNAI1
SCHEMBL7026670 0.85 SOS1 (0.31)
SCHEMBL28210516 0.82 SOS1 (0.39) GNAO1GNAI3GNAI1
SCHEMBL369683 0.80 SOS1 (0.40) GNAO1GNAI3GNAI1
SCHEMBL7475239 0.79
Hydrochloric Acid SCHEMBL6291188 0.79 GNAO1 (0.40) GNAO1GNAI3GNAI1
SCHEMBL4893037 0.79 GNAI3 (0.35) GNAO1GNAI3GNAI1
SCHEMBL9236814 0.77 GNAO1 (0.34) GNAO1GNAI3GNAI1
SCHEMBL27911334 0.77 SOS1 (0.38) GNAO1GNAI3GNAI1
Hydrochloric Acid SCHEMBL8368106 0.77 GNAO1 (0.38) GNAO1GNAI3GNAI1

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-0789062-B1 WATER-ABSORBENT RESIN DISPERSION AND POLYURETHANE COMPOSITION SANYO CHEMICAL IND LTD (JP) 2003-01-22 EP disclosed
US-5994421-A CROSSLINKING SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
EP-0789062-A1 WATER-ABSORBENT RESIN DISPERSION AND POLYURETHANE COMPOSITION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-13 EP disclosed