Aconitic Acid

Aconitic Acid

SCHEMBL6400543

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

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.75
KDM4E B2RXH2 1/20 0.75
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CPB1 P15086 1/20 0.34
CYP2C19 P33261 1/20 0.33
TET2 Q6N021 4/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
TET3 O43151 1/20 0.30
TET1 Q8NFU7 1/20 0.30

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
Aconitic Acid SCHEMBL11763623 1.00 TSHR (0.75) TSHRKDM4EALOX15HSD17B10CPB1
Aconitic Acid SCHEMBL1275978 0.87 TSHR (1.00) TSHRKDM4EALOX15HSD17B10CPB1
Aconitic Acid SCHEMBL22334 0.87 TSHR (1.00) TSHRKDM4EALOX15HSD17B10CPB1
Aconitic Acid SCHEMBL1289876 0.87 TSHR (1.00) TSHRKDM4EALOX15HSD17B10CPB1
Aconitic Acid SCHEMBL16935 0.87 TSHR (1.00) TSHRKDM4EALOX15HSD17B10CPB1
Aconitic Acid SCHEMBL2022211 0.87 TSHR (1.00) TSHRKDM4EALOX15HSD17B10CPB1
Aconitic Acid SCHEMBL219037 0.87 TSHR (1.00) TSHRKDM4EALOX15HSD17B10CPB1
Aconitic Acid SCHEMBL27092737 0.85 TSHR (0.78) TSHRKDM4EALOX15HSD17B10CPB1
Aconitic Acid SCHEMBL15844278 0.85 TSHR (0.64) TSHRKDM4EALOX15HSD17B10CPB1
Aconitic Acid SCHEMBL31158182 0.84 TSHR (0.95) TSHRKDM4EALOX15HSD17B10CPB1

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
US-4021504-A Thermosetting coating composition of acrylic interpolymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-05-03 US claimed
CN-107266401-A Cleansing composition 株式会社新高 2017-10-20 CN disclosed
US-6903059-B2 Laundry detergent compositions comprising polyamines and mid-chain branched surfactants THE PROCTER & GAMBLE COMPANY (US) 2005-06-07 US disclosed
US-20040077514-A1 Laundry detergent compositions comprising polyamines and mid-chain branched surfactants PRICE KENNETH NATHAN (US) 2004-04-22 US disclosed
US-3990381-A Hydrophilic polymer coating for underwater structures NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 US disclosed