SCHEMBL9751848

SCHEMBL9751848

CCCN(CCC)C1C([N+](=O)[O-])=CC(C(F)F)=CC1(F)[N+](=O)[O-]

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL9129233 0.59 TDP1 (0.30)
SCHEMBL9850340 0.59
SCHEMBL9121527 0.53 CYP3A4 (0.64) ALDH1A1
SCHEMBL29071709 0.52 TSHR (0.38) ALDH1A1
Silver SCHEMBL28326742 0.49 TSHR (0.40) ALDH1A1
Nitric Acid SCHEMBL5875019 0.48 CA5A (0.44) ALDH1A1
SCHEMBL1592496 0.47
SCHEMBL24189408 0.46 POLB (0.31)
SCHEMBL6574509 0.46 TSHR (0.40) ALDH1A1
SCHEMBL28115043 0.46 TSHR (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456756-A1 SINGLE-PACKAGE AGRICULTURAL FORMULATIONS COMBINING IMMEDIATE AND TIME-DELAYED DELIVERY. ICI AMERICA INC (US) 1991-11-21 EP disclosed
WO-1990008468-A1 SINGLE-PACKAGE AGRICULTURAL FORMULATIONS COMBINING IMMEDIATE AND TIME-DELAYED DELIVERY ICI AMERICAS INC. (US) 1990-08-09 WO disclosed