SCHEMBL6049941

SCHEMBL6049941

CCCCS(=O)(=O)C(C#N)C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL6050006 0.91 CA2 (0.50) CA2TSHRFAAH
SCHEMBL8702686 0.78 NLRP3 (0.31) TSHRALDH1A1NLRP3
SCHEMBL24059316 0.76 APP (0.39) LMNA
SCHEMBL3260166 0.74 CA2 (0.50) CA2TSHRTP53FAAH
SCHEMBL28140285 0.72 CA2 (0.53) CA2TSHRTP53FAAH
SCHEMBL2305626 0.70 CA2 (0.50) CA2TSHRNPC1S1PR2S1PR4
SCHEMBL27996571 0.70 CA2 (0.45) CA2NPC1S1PR2S1PR4ALDH1A1
SCHEMBL7128959 0.69
SCHEMBL751665 0.69 CA2 (0.43) CA2TSHRNPC1S1PR2S1PR4
SCHEMBL3105085 0.69 CA2 (0.48) CA2NPC1S1PR2S1PR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4129974-A1 ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, METHOD FOR FORMING PATTERN, AND METHOD FOR PRODUCING ELECTRONIC DEVICE FUJIFILM Corporation (JP) 2023-02-08 EP disclosed
EP-1201650-B1 Ionic malonitril derivatives and their uses CENTRE NAT RECH SCIENT (FR) 2006-11-22 EP disclosed
US-6576159-B1 Colorants, electroconductive materials; solubility, dissociation HYDRO-QUEBEC 2003-06-10 US disclosed
US-20030066988-A1 Malononitrile-derivative anion salts, and their uses as ionic conducting materials MICHOT CHRISTOPHE (FR) 2003-04-10 US disclosed
EP-0850921-B1 Ionic conductive materials comprising an ionic compound, derived from malononitrile and uses thereof CENTRE NAT RECH SCIENT (FR) 2002-09-25 EP disclosed
EP-1201650-A2 Ionic malonitril derivatives and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-05-02 EP disclosed
US-6333425-B1 IONIC COMPOUNDS DERIVED FROM MALONONITRILE IN WHICH ANIONIC CHARGE IS DELOCALIZED; EXCELLENT PROPERTIES OF SOLUBILITY AND DISSOCIATION HYDRO-QUEBEC (CA) 2001-12-25 US disclosed
WO-1998029389-A1 MALONONITRILE-DERIVATIVE ANION SALTS, AND THEIR USES AS IONIC CONDUCTING MATERIALS HYDRO-QUEBEC (CA) 1998-07-09 WO disclosed
EP-0850921-A1 Salts of malononitrile derived anions, and their uses as ionic conductive materials CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1998-07-01 EP disclosed