SCHEMBL30403146

SCHEMBL30403146

CNc1ccc(C(=O)O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 18/20 1.00
NNMT P40261 1/20 0.70
HCAR2 Q8TDS4 2/20 0.60
P4HA1 P13674 1/20 0.55
P4HTM Q9NXG6 1/20 0.55

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
SCHEMBL185895 1.00 HCAR3 (1.00) HCAR3NNMTHCAR2P4HA1P4HTM
Hydrochloric Acid SCHEMBL4035906 0.98 HCAR3 (0.96) HCAR3NNMTHCAR2P4HA1P4HTM
Hydrochloric Acid SCHEMBL6474495 0.98 HCAR3 (0.96) HCAR3NNMTHCAR2P4HA1P4HTM
6-Chloronicotinic Acid SCHEMBL4044448 0.88 HCAR3 (0.78) HCAR3NNMTHCAR2
SCHEMBL9605928 0.85 HCAR3 (0.73) HCAR3NNMTHCAR2P4HA1P4HTM
SCHEMBL12588541 0.84 HCAR3 (0.72) HCAR3NNMTHCAR2
SCHEMBL14341697 0.83 HCAR3 (0.76) HCAR3HCAR2P4HA1P4HTM
SCHEMBL18715411 0.82 HCAR3 (0.70) HCAR3NNMT
SCHEMBL4320704 0.82 NNMT (1.00) HCAR3NNMT
SCHEMBL27874609 0.82 HCAR3 (0.69) HCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655618-A Probes for imaging huntingtin CHDI基金会股份有限公司 2023-08-29 CN disclosed
CN-107108534-B Probes for imaging huntingtin CHDI基金会股份有限公司 2023-05-09 CN disclosed