⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23055552 | 0.80 | NR1H2 (0.34) | — | |
| SCHEMBL23055515 | 0.78 | DDB1 (0.39) | — | |
| SCHEMBL23055541 | 0.77 | CASP6 (0.41) | — | |
| SCHEMBL23055605 | 0.74 | MAPT (0.40) | — | |
| SCHEMBL23055560 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL23055673 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL23055826 | 0.69 | HRH3 (0.33) | — | |
| SCHEMBL23055458 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL23055854 | 0.67 | NR1H2 (0.32) | — | |
| SCHEMBL23055550 | 0.67 | DDB1 (0.36) | — |
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 |