⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1631905 | 0.69 | — | — | |
| SCHEMBL8635221 | 0.64 | — | — | |
| SCHEMBL8638384 | 0.63 | — | — | |
| SCHEMBL578248 | 0.60 | HSP90AA1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL28582399 | 0.59 | HPGD (0.53) | — | |
| SCHEMBL208397 | 0.59 | — | — | |
| SCHEMBL740847 | 0.59 | — | — | |
| SCHEMBL2237012 | 0.59 | — | — | |
| SCHEMBL6603416 | 0.58 | — | — | |
| SCHEMBL10370548 | 0.57 | ALDH1A1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3071578-B1 | TRICYCLIC PIPERIDINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2018-01-10 | — | — | EP | disclosed |
| US-9765092-B2 | Tricyclic piperidine compounds | ACTELION PHARMACEUTICALS LTD (CH) | 2017-09-19 | — | — | US | disclosed |
| EP-3071578-A1 | TRICYCLIC PIPERIDINE COMPOUNDS | Actelion Pharmaceuticals Ltd (CH) | 2016-09-28 | — | — | EP | disclosed |
| US-20160272655-A1 | TRICYCLIC PIPERIDINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-09-22 | — | — | US | disclosed |
| WO-2015075023-A1 | TRICYCLIC PIPERIDINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-05-28 | — | — | WO | disclosed |