⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5903240 | 0.80 | ALDH1A1 (0.52) | — | |
| SCHEMBL17778289 | 0.74 | — | — | |
| SCHEMBL1333874 | 0.73 | — | — | |
| SCHEMBL11327091 | 0.70 | — | — | |
| SCHEMBL2348392 | 0.69 | — | — | |
| SCHEMBL29952037 | 0.69 | — | — | |
| SCHEMBL12468647 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL7356709 | 0.68 | — | — | |
| SCHEMBL400853 | 0.68 | — | — | |
| SCHEMBL21958038 | 0.68 | — | — |
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-4587014-A2 | C5AR1 ANTAGONISTS AND USES THEREOF | Vanqua Bio, Inc. (US) | 2025-07-23 | — | — | EP | disclosed |
| WO-2024059096-A2 | C5AR1 ANTAGONISTS AND USES THEREOF | VANQUA BIO, INC. (US) | 2024-03-21 | — | — | WO | disclosed |