⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8288299 | 0.79 | — | — | |
| SCHEMBL1274639 | 0.74 | TDP1 (0.35) | — | |
| SCHEMBL23963987 | 0.71 | — | — | |
| SCHEMBL24713280 | 0.71 | — | — | |
| SCHEMBL25141148 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL20172401 | 0.70 | — | — | |
| SCHEMBL18666431 | 0.69 | — | — | |
| SCHEMBL28213411 | 0.69 | — | — | |
| SCHEMBL844488 | 0.65 | TDP1 (0.36) | — | |
| SCHEMBL24113203 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11730720-B2 | ALK5 inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2023-08-22 | — | — | US | disclosed |
| US-20210154178-A1 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-05-27 | — | — | US | disclosed |
| US-10952996-B2 | ALK5 inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-03-23 | — | — | US | disclosed |
| US-10759751-B2 | Substituted spirocyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists | HEPTARES THERAPEUTICS LIMITED (GB) | 2020-09-01 | — | — | US | disclosed |
| US-20200188370-A1 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-06-18 | — | — | US | disclosed |
| US-20190202783-A1 | SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS | NXERA PHARMA UK LIMITED (GB) | 2019-07-04 | — | — | US | disclosed |