Benzoyl Formic Acid

Benzoyl Formic Acid

SCHEMBL16045929

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

nearest known ligand 0.55

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 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 10/20 0.55
CES1 P23141 9/20 0.55
TSHR P16473 2/20 0.52
DAO P14920 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
XBP1 P17861 1/20 0.47
ATM Q13315 1/20 0.47
SRD5A2 P31213 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CPT1B Q92523 1/20 0.41
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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 SCHEMBL16045776 0.92 CES2 (0.59) CES2CES1TSHRDAONAPRT
Benzoic Acid SCHEMBL570447 0.90 TSHR (0.64) CES2CES1TSHRDAONAPRT
Benzoic Acid SCHEMBL4591805 0.90 TSHR (0.64) CES2CES1TSHRDAONAPRT
Benzoyl Formic Acid SCHEMBL16045766 0.89 CES2 (0.47) CES2CES1TSHRDAONAPRT
Benzoic Acid SCHEMBL27522795 0.86 TSHR (0.64) CES2CES1TSHRDAONAPRT
Benzoyl Formic Acid SCHEMBL16046586 0.86 CES1 (0.44) CES2CES1TSHRDAONAPRT
Benzoyl Formic Acid SCHEMBL16047239 0.86 CES1 (0.44) CES2CES1TSHRDAONAPRT
Benzoyl Formic Acid SCHEMBL16045688 0.84 CES2 (0.50) CES2CES1TSHRDAONAPRT
Benzoyl Formic Acid SCHEMBL16044283 0.84 CES2 (0.76) CES2CES1TSHRDAONAPRT
Benzoyl Formic Acid SCHEMBL16045019 0.84 CES2 (0.53) CES2CES1TSHRDAONAPRT

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 5 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
US-20140275456-A1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORPORATION, USA (US) 2014-09-18 US disclosed