SCHEMBL9005513

SCHEMBL9005513

CCCCC(OC(CCCC)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.31
FDPS P14324 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
SCHEMBL11763050 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL31487362 0.73 ALDH1A1 (0.46) ALDH1A1TSHRFDPS
SCHEMBL15339686 0.73 ALDH1A1 (0.46) ALDH1A1TSHRFDPS
SCHEMBL1998822 0.71 ALDH1A1 (0.50) ALDH1A1TSHRFDPS
SCHEMBL17030340 0.71 ALDH1A1 (0.44) ALDH1A1TSHRFDPS
SCHEMBL11399668 0.70 ALDH1A1 (0.42) ALDH1A1TSHRFDPS
SCHEMBL30096953 0.70 ALDH1A1 (0.42) ALDH1A1TSHRFDPS
SCHEMBL28183909 0.70 ALDH1A1 (0.42) ALDH1A1TSHRFDPS
SCHEMBL8466546 0.70 ALDH1A1 (0.42) ALDH1A1TSHRFDPS
SCHEMBL9452652 0.68 ALDH1A1 (0.41) ALDH1A1TSHR

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-0736000-A1 PROCESS FOR THE PREPARATION OF DIAMINORESORCINOL THE DOW CHEMICAL COMPANY (US) 1996-10-09 EP claimed
WO-1995017375-A1 PROCESS FOR THE PREPARATION OF DIAMINORESORCINOL THE DOW CHEMICAL COMPANY (US) 1995-06-29 WO claimed
US-5414130-A Process for the preparation of diaminoresorcinol THE DOW CHEMICAL COMPANY (US) 1995-05-09 US claimed