⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18321325 | 0.84 | — | — | |
| SCHEMBL18320612 | 0.76 | — | — | |
| SCHEMBL4165452 | 0.71 | — | — | |
| SCHEMBL1193637 | 0.67 | — | — | |
| SCHEMBL15985149 | 0.65 | — | — | |
| SCHEMBL24574355 | 0.64 | — | — | |
| Piperidine SCHEMBL22115426 | 0.60 | ALDH1A1 (0.60) | — | |
| SCHEMBL22854438 | 0.60 | ALDH1A1 (0.60) | — | |
| SCHEMBL7512282 | 0.60 | ALDH1A1 (0.60) | — | |
| SCHEMBL18710391 | 0.60 | ALDH1A1 (0.60) | — |
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-3310777-A1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2018-04-25 | — | — | EP | disclosed |
| WO-2016205482-A1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-12-22 | — | — | WO | disclosed |