⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2912200 | 0.74 | — | — | |
| SCHEMBL17178680 | 0.70 | — | — | |
| SCHEMBL16631652 | 0.70 | — | — | |
| SCHEMBL12125855 | 0.70 | — | — | |
| SCHEMBL21657741 | 0.68 | GRIN2D (0.41) | — | |
| SCHEMBL9972520 | 0.67 | — | — | |
| SCHEMBL12180533 | 0.67 | DAO (0.39) | — | |
| SCHEMBL15043728 | 0.67 | DAO (0.39) | — | |
| SCHEMBL14420767 | 0.67 | ATAD2 (0.37) | — | |
| SCHEMBL15986673 | 0.67 | PARP1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023156386-A2 | PHARMACEUTICAL COMPOUND | Duke Street Bio Limited (GB) | 2023-08-24 | — | — | WO | disclosed |
| US-10548911-B2 | Small molecule anti-scarring agents | UNIVERSITY OF ROCHESTER (US) | 2020-02-04 | — | — | US | disclosed |
| US-20170216332-A1 | SMALL MOLECULE ANTI-SCARRING AGENTS | UNIVERSITY OF ROCHESTER (US) | 2017-08-03 | — | — | US | disclosed |