⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20331549 | 0.71 | USP2 (0.37) | — | |
| SCHEMBL17180567 | 0.70 | TDP1 (0.37) | — | |
| SCHEMBL28478638 | 0.67 | TDP1 (0.42) | — | |
| SCHEMBL8345802 | 0.67 | TDP1 (0.34) | — | |
| SCHEMBL28291051 | 0.66 | TDP1 (0.37) | — | |
| SCHEMBL11065997 | 0.66 | TDP1 (0.33) | — | |
| SCHEMBL28277760 | 0.66 | ALOX15 (0.35) | — | |
| SCHEMBL27881532 | 0.66 | TDP1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL27832597 | 0.66 | TDP1 (0.38) | — | |
| SCHEMBL28189251 | 0.66 | TDP1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11228057-B2 | Compounds based on an element from the boron group, and use thereof in electrolyte compositions | SCE FRANCE (FR) | 2022-01-18 | — | — | US | disclosed |