Mandelic Acid

Mandelic Acid

SCHEMBL30733602

CN(C)[C@H]1OCCc2ccsc21.O=C(O)[C@H](O)c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.43
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRL1 P41146 2/20 0.32
HPGD P15428 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
Cadaverine Tartrate SCHEMBL28523054 0.87 TAAR1 (0.48) TAAR1LMNAHTR1ADRD2HTR7
Cadaverine Tartrate SCHEMBL30733604 0.87 TAAR1 (0.48) TAAR1LMNAHTR1ADRD2HTR7
Tartaric Acid SCHEMBL30733603 0.87 TAAR1 (0.48) TAAR1LMNAHTR1ADRD2HTR7
Cadaverine Tartrate SCHEMBL29223353 0.87 TAAR1 (0.48) TAAR1LMNAHTR1ADRD2HTR7
SCHEMBL28518877 0.81 TAAR1 (0.45) TAAR1HTR1ADRD2HTR7KDM4E
SCHEMBL28511085 0.81 TAAR1 (0.60) TAAR1HTR1ADRD2HTR7
SCHEMBL30733601 0.81 TAAR1 (0.60) TAAR1HTR1ADRD2HTR7
SCHEMBL28511084 0.81 TAAR1 (0.60) TAAR1HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL29140413 0.80 TAAR1 (0.59) TAAR1HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL30733605 0.80 TAAR1 (0.59) TAAR1HTR1ADRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406063-A Salt, crystal forms and preparation method thereof 赛诺维信制药公司 2024-07-30 CN claimed
CN-118576586-A Methods of treating neurological and psychiatric disorders 住友制药美国公司 2024-09-03 CN disclosed
CN-118406063-A Salt, crystal forms and preparation method thereof 赛诺维信制药公司 2024-07-30 CN disclosed
CN-112135827-B Salt, crystal forms and preparation method thereof 赛诺维信制药公司 2024-01-12 CN disclosed