⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16835035 | 1.00 | — | — | |
| SCHEMBL18355210 | 0.82 | ACHE (0.31) | — | |
| SCHEMBL18355084 | 0.82 | OGA (0.34) | — | |
| SCHEMBL22417213 | 0.82 | ALKBH2 (0.35) | — | |
| SCHEMBL16835234 | 0.82 | P2RX7 (0.33) | — | |
| SCHEMBL16835233 | 0.82 | P2RX7 (0.33) | — | |
| SCHEMBL16835093 | 0.82 | ALKBH2 (0.35) | — | |
| SCHEMBL18355083 | 0.82 | OGA (0.34) | — | |
| SCHEMBL20193899 | 0.78 | OGA (0.41) | — | |
| SCHEMBL22394435 | 0.78 | OGA (0.41) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9981942-B2 | Piperidine derivatives having multimodal activity against pain | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2018-05-29 | — | — | US | disclosed |
| US-20170001978-A1 | PIPERIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2017-01-05 | — | — | US | disclosed |