⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10389675 | 0.81 | — | — | |
| SCHEMBL30195047 | 0.77 | — | — | |
| SCHEMBL22616190 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2380122 | 0.76 | — | — | |
| SCHEMBL8820633 | 0.75 | NNMT (0.30) | — | |
| SCHEMBL8307711 | 0.74 | — | — | |
| SCHEMBL466479 | 0.74 | — | — | |
| SCHEMBL525584 | 0.73 | — | — | |
| SCHEMBL27974128 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL940717 | 0.71 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101321525-B | Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors | HOFFMANN LA ROCHE | 2013-01-30 | — | — | CN | disclosed |
| EP-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |
| CN-101321525-A | Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors | HOFFMANN LA ROCHE (CH) | 2008-12-10 | — | — | CN | disclosed |
| EP-1373264-B1 | 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS | PFIZER LTD (GB) | 2004-12-22 | — | — | EP | disclosed |