⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22792550 | 0.77 | — | — | |
| SCHEMBL786920 | 0.73 | — | — | |
| SCHEMBL27530105 | 0.73 | — | — | |
| Water SCHEMBL28211134 | 0.71 | — | — | |
| Ethylamine SCHEMBL770791 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7085472 | 0.71 | — | — | |
| SCHEMBL4242766 | 0.71 | CHRM2 (0.48) | — | |
| SCHEMBL7054555 | 0.69 | — | — | |
| SCHEMBL11851480 | 0.69 | — | — | |
| SCHEMBL14629253 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3495372-A1 | BORONATED DERIVATIVES FOR THE TREATMENT OF DISEASES AND CONDITIONS ASSOCIATED TO OXIDATIVE STRESS | Universita' Degli Studi G. D Annunzio Chieti - Pescara (IT) | 2019-06-12 | — | — | EP | disclosed |