Benzoyl Formic Acid

Benzoyl Formic Acid

SCHEMBL16045337

CCC(O)C(C)C(O)CC.O=C(O)C(=O)c1ccccc1.O=C(O)c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

The experimentally established mechanism targets of Benzoyl Formic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 10/20 0.48
CES1 P23141 10/20 0.48
DAO P14920 1/20 0.45
TSHR P16473 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 1/20 0.42
TRPA1 O75762 1/20 0.41
SRD5A2 P31213 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39

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
Benzoyl Formic Acid SCHEMBL16044971 0.93 CES2 (0.42) CES2CES1DAOTSHRNAPRT
Benzoic Acid SCHEMBL1786487 0.92 TSHR (0.54) CES2CES1DAOTSHRNAPRT
Benzoyl Formic Acid SCHEMBL16048890 0.88 CES2 (0.46) CES2CES1DAOTSHRNAPRT
Benzoic Acid SCHEMBL30602841 0.84 DAO (0.45) CES2CES1DAOTSHRNAPRT
Benzoic Acid SCHEMBL1783063 0.84 DAO (0.45) CES2CES1DAOTSHRNAPRT
Benzoyl Formic Acid SCHEMBL16047178 0.84 CES2 (0.48) CES2CES1DAOTSHRNAPRT
Benzoic Acid SCHEMBL16044661 0.83 HPGD (0.38) CES2CES1DAOTSHRNAPRT
Benzoic Acid SCHEMBL27507805 0.83 TSHR (0.48) CES2CES1DAOTSHRNAPRT
Benzoyl Formic Acid SCHEMBL16045929 0.83 CES2 (0.55) CES2CES1DAOTSHRNAPRT
Benzoyl Formic Acid SCHEMBL16045776 0.83 CES2 (0.59) CES2CES1DAOTSHRNAPRT

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
CN-109180843-B Non-phthalate compounds as electron donors for polyolefin catalysts 美国台塑公司 2022-03-01 CN claimed
EP-2969201-B1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORP USA (US) 2022-05-04 EP disclosed
CN-109180843-B Non-phthalate compounds as electron donors for polyolefin catalysts 美国台塑公司 2022-03-01 CN disclosed
US-9790291-B2 Non-phthalate compounds as electron donors for polyolefin catalysts FORMOSA PLASTICS CORPORATION, USA (US) 2017-10-17 US disclosed
EP-2969201-A2 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS Formosa Plastics Corporation, U.S.A. (US) 2016-01-20 EP disclosed
WO-2014160012-A2 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORPORATION, USA (US) 2014-10-02 WO disclosed
US-20140275456-A1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORPORATION, USA (US) 2014-09-18 US disclosed