SCHEMBL7920979

SCHEMBL7920979

CC(C)(CCC1OCCO1)[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13003054 0.72
SCHEMBL1476006 0.69 ALDH1A1 (0.40) ALDH1A1
SCHEMBL27551301 0.68
SCHEMBL22341413 0.67 ALDH1A1 (0.43) ALDH1A1L3MBTL1
SCHEMBL6796138 0.65 ALDH1A1 (0.39) ALDH1A1
SCHEMBL1980380 0.65 ALDH1A1 (0.35) ALDH1A1
SCHEMBL393469 0.65
SCHEMBL10204700 0.64
SCHEMBL1853215 0.64 ALDH1A1 (0.38) ALDH1A1L3MBTL1
SCHEMBL18526274 0.64 CYP1A2 (0.45) ALDH1A1

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
WO-2024143106-A1 STABILIZED ALKYL-BROMIDE-COMPOUND-CONTAINING LIQUID COMPOSITION AND USE FOR SAME 東ソー株式会社 2024-07-04 WO disclosed
US-6194461-B1 USEFUL AS MEDICAMENT FOR TREATING RETINAL DEGENERATIVE DISORDERS; ALPHA-(2,4-DIFLUOROPHENYL)-N-T-BUTYLNITRONE, AND CORRESPONDING AMINES WHICH WOULD BE CONVERTED IN VIVO TO THE NITRONE, FOR EXAMPLE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-02-27 US disclosed
EP-0945426-A1 NITRONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-29 EP disclosed