⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25683264 | 0.97 | — | — | |
| SCHEMBL29726153 | 0.90 | — | — | |
| SCHEMBL4181993 | 0.87 | — | — | |
| SCHEMBL16878613 | 0.87 | — | — | |
| SCHEMBL1827417 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL15771979 | 0.84 | — | — | |
| SCHEMBL1796494 | 0.83 | — | — | |
| SCHEMBL14239219 | 0.80 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL15772347 | 0.80 | — | — | |
| SCHEMBL16877411 | 0.78 | SOS1 (0.37) | — |
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 |