⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12914552 | 0.83 | DAO (0.33) | — | |
| Ethylene SCHEMBL9454407 | 0.80 | LMNA (0.33) | — | |
| SCHEMBL5999186 | 0.79 | ERN1 (0.44) | — | |
| SCHEMBL3252591 | 0.78 | — | — | |
| SCHEMBL5803353 | 0.75 | MGLL (0.32) | — | |
| SCHEMBL4326061 | 0.75 | EGFR (0.46) | — | |
| SCHEMBL4326058 | 0.75 | EGFR (0.46) | — | |
| SCHEMBL8586379 | 0.74 | DPP4 (0.49) | — | |
| SCHEMBL3904764 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL30579025 | 0.74 | ERN1 (0.35) | — |
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 8 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 |
| CN-106999479-A | It can be used as the heteroaryl compound of SUMO activating enzyme inhibitors | 米伦纽姆医药公司 | 2017-08-01 | — | — | CN | 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 |
| CN-105745214-A | Tricyclic piperidine compounds | 埃科特莱茵药品有限公司 | 2016-07-06 | — | — | CN | disclosed |
| WO-2015075023-A1 | TRICYCLIC PIPERIDINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-05-28 | — | — | WO | disclosed |
| US-6703373-B1 | ANTICARCINOGENIC AGENTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-03-09 | — | — | US | disclosed |