⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10258835 | 0.85 | — | — | |
| SCHEMBL19222025 | 0.79 | CKS1B (0.31) | — | |
| SCHEMBL10258828 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL10258799 | 0.67 | TP53 (0.31) | — | |
| SCHEMBL10258670 | 0.65 | POLB (0.37) | — | |
| SCHEMBL10259401 | 0.64 | POLB (0.33) | — | |
| SCHEMBL10258862 | 0.62 | KDM4E (0.38) | — | |
| SCHEMBL13346237 | 0.61 | — | — | |
| SCHEMBL10259310 | 0.60 | CHRM4 (0.32) | — | |
| SCHEMBL25326864 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3202767-B1 | AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND MEDICAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) | 2019-04-03 | — | — | EP | disclosed |
| EP-3202767-A1 | AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND MEDICAL USE THEREOF | Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) | 2017-08-09 | — | — | EP | disclosed |
| US-8471005-B2 | Pyrrolotriazines as ALK and JAK2 inhibitors | CEPHALON, INC. (US) | 2013-06-25 | — | — | US | disclosed |
| US-20120028919-A1 | PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS | CEPHALON, INC. (US) | 2012-02-02 | — | — | US | disclosed |