⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14260297 | 0.78 | — | — | |
| SCHEMBL20843976 | 0.78 | — | — | |
| SCHEMBL24720251 | 0.78 | — | — | |
| SCHEMBL22590350 | 0.75 | — | — | |
| SCHEMBL21468575 | 0.75 | — | — | |
| SCHEMBL3831186 | 0.71 | — | — | |
| SCHEMBL18619996 | 0.71 | — | — | |
| SCHEMBL22539787 | 0.69 | — | — | |
| SCHEMBL21263615 | 0.69 | — | — | |
| SCHEMBL19546697 | 0.69 | — | — |
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-4043460-A1 | ANTIPROLIFERATION COMPOUNDS AND USES THEREOF | Merck Patent GmbH (DE) | 2022-08-17 | — | — | EP | disclosed |
| WO-2020123453-A2 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-06-18 | — | — | WO | disclosed |