SCHEMBL331180

SCHEMBL331180

CCS(=O)(=O)O.C[N+](C)(C)c1ccccc1

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
PSIP1 O75475 1/20 0.41
ACHE P22303 6/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD11B1 P28845 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.35
OPRM1 P35372 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
BLM P54132 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
Sulfuric Acid SCHEMBL2386168 0.89 APOBEC3A (0.67) APOBEC3AAPOBEC3GPSIP1ACHETSHR
SCHEMBL330633 0.88 APOBEC3A (0.50) APOBEC3AAPOBEC3GPSIP1ACHETSHR
SCHEMBL2811793 0.88 ACHE (0.50) APOBEC3AAPOBEC3GPSIP1ACHEBCHE
SCHEMBL331965 0.87 PSIP1 (0.41) APOBEC3AAPOBEC3GPSIP1ACHETSHR
SCHEMBL330486 0.86 APOBEC3A (0.64) APOBEC3AAPOBEC3GACHETSHRSMN1; SMN2
SCHEMBL27482397 0.85 APOBEC3A (0.47) APOBEC3AAPOBEC3GPSIP1TSHR
Ammonia Solution, Strong SCHEMBL27516751 0.84 APOBEC3A (0.61) APOBEC3AAPOBEC3GACHETSHRSMN1; SMN2
Sulfuric Acid SCHEMBL5345728 0.84 APOBEC3A (0.61) APOBEC3AAPOBEC3GACHETSHRSMN1; SMN2
SCHEMBL331179 0.83 APOBEC3A (0.58) APOBEC3AAPOBEC3GPSIP1ACHEBCHE
Alcohol SCHEMBL27837339 0.81 APOBEC3A (0.70) APOBEC3AAPOBEC3GACHETSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295484-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2018-01-17 EP disclosed
EP-2407498-B1 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC (JP) 2017-11-15 EP disclosed
CN-102977309-B Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSU CHEMICALS INC 2015-04-15 CN disclosed
CN-102066450-B Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC 2013-11-06 CN disclosed
CN-102977309-A Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC 2013-03-20 CN disclosed
US-8304507-B2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS, INC. (JP) 2012-11-06 US disclosed
EP-2407498-A2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material Mitsui Chemicals, Inc. (JP) 2012-01-18 EP disclosed
CN-102066450-A Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC 2011-05-18 CN disclosed
US-20110112269-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2011-05-12 US disclosed
EP-2295484-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2011-03-16 EP disclosed