⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1549899 | 0.71 | — | — | |
| SCHEMBL10834590 | 0.69 | — | — | |
| SCHEMBL22567245 | 0.67 | — | — | |
| SCHEMBL22567310 | 0.62 | — | — | |
| SCHEMBL24427231 | 0.62 | — | — | |
| SCHEMBL22567194 | 0.60 | — | — | |
| SCHEMBL25045147 | 0.59 | NOTUM (0.59) | — | |
| SCHEMBL16330524 | 0.59 | NOTUM (0.44) | — | |
| SCHEMBL23655067 | 0.56 | — | — | |
| SCHEMBL4405388 | 0.51 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4006029-A1 | MACROCYCLIC DERIVATIVES AS FACTOR XIA INHIBITORS | Medshine Discovery Inc. (CN) | 2022-06-01 | — | — | EP | disclosed |
| EP-3998263-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) | 2022-05-18 | — | — | EP | disclosed |
| WO-2021013209-A1 | MACROCYCLIC DERIVATIVES AS FACTOR XIA INHIBITORS | 南京明德新药研发有限公司 | 2021-01-28 | — | — | WO | disclosed |