⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23055870 | 0.92 | DDB1 (0.35) | — | |
| SCHEMBL23055415 | 0.90 | ALDH1A1 (0.30) | — | |
| SCHEMBL23055867 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL23055632 | 0.88 | — | — | |
| SCHEMBL23055487 | 0.87 | DDB1 (0.31) | — | |
| SCHEMBL23055417 | 0.85 | DDB1 (0.32) | — | |
| SCHEMBL23055386 | 0.85 | GAA (0.34) | — | |
| SCHEMBL23055351 | 0.85 | DAPK3 (0.32) | — | |
| SCHEMBL23055416 | 0.85 | AR (0.31) | — | |
| SCHEMBL23055492 | 0.84 | PRMT5 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11795147-B2 | Modulators of complex I | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-10-24 | — | — | US | disclosed |
| US-11795147-B2 | Modulators of complex I | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-10-24 | — | — | US | disclosed |
| US-20210061761-A1 | MODULATORS OF COMPLEX I | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-03-04 | — | — | US | disclosed |