Maleic Acid

SCHEMBL8301396

CCN(CC)Cc1cccc(C=Cc2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ACE ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 BTK CACNA1C CACNA1D CACNA1F CACNA1S CCR5 CPT1B CPT2 DPP4 DRD1 DRD2 EGFR ERBB2 ERBB4 HRH1 HRH3 HTR1A HTR2A HTR2B HTR2C HTR4 JAK1 JAK2 JAK3 MPL MTOR P PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PPARG SLC6A2 SLC6A3 SLC6A4 SMO TYK2 pol

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

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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.

Compound	similarity	top predicted	shared targets
Fumaric Acid SCHEMBL8301403	1.00	—	—
Maleic Acid SCHEMBL8301393	1.00	—	—
SCHEMBL2843974	0.95	—	—
SCHEMBL2843971	0.95	—	—
Hydrochloric Acid SCHEMBL1996112	0.94	—	—
Hydrochloric Acid SCHEMBL1996114	0.94	—	—
SCHEMBL8304276	0.92	—	—
SCHEMBL8304275	0.92	—	—
SCHEMBL6601006	0.91	—	—
SCHEMBL6601011	0.91	—	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0934934-A2	Methods of preparing substituted 3-phenyl- and 3-pyridyl-4(3H)-quinazolinones and atropisomers thereof	Pfizer Products Inc. (US)	1999-08-11	—	—	EP	disclosed