SCHEMBL251509

SCHEMBL251509

C=CCc1ccc[n+]([O-])c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 17/20 0.46
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6510805 0.82 GPR84 (0.47) GPR84MEN1KMT2A
SCHEMBL317674 0.79
SCHEMBL14844558 0.77
SCHEMBL16109052 0.76 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL1968318 0.74 HDAC1 (0.43) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL252625 0.74 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL2867974 0.73 GPR84 (0.56) GPR84
Bromide SCHEMBL14811828 0.73 HDAC1 (0.42) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL11448986 0.72
SCHEMBL1944623 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141830-A1 ANTISEPTIC COMPOSITIONS AND METHODS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-07-04 WO disclosed
EP-2588117-B1 STABLE ANTISEPTIC COMPOSITIONS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2018-04-25 EP disclosed
US-8808722-B2 Stable antiseptic compositions and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-19 US disclosed
EP-2588117-A1 STABLE ANTISEPTIC COMPOSITIONS AND METHODS 3M Innovative Properties Company (US) 2013-05-08 EP disclosed
US-20130108576-A1 STABLE ANTISEPTIC COMPOSITIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-02 US disclosed
CN-102970995-A Stable antimicrobial compositions and methods 3M INNOVATIVE PROPERTIES CO 2013-03-13 CN disclosed
WO-2012002943-A1 STABLE ANTISEPTIC COMPOSITIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-05 WO disclosed