⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9242551 | 0.97 | — | — | |
| SCHEMBL2830204 | 0.69 | — | — | |
| SCHEMBL6575671 | 0.67 | — | — | |
| SCHEMBL2828421 | 0.67 | — | — | |
| SCHEMBL5706854 | 0.65 | — | — | |
| SCHEMBL2829627 | 0.62 | — | — | |
| SCHEMBL22811444 | 0.62 | — | — | |
| SCHEMBL575795 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL576151 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL22406167 | 0.58 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1337529-A2 | HETEROCYCLYLALKYL PIPERIDINE DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING SAME | Aventis Pharma S.A. (FR) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002040474-A2 | HETEROCYCLYLALKYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS | AVENTIS PHARMA S.A. (FR) | 2002-05-23 | — | — | WO | disclosed |