⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11076980 | 0.79 | — | — | |
| SCHEMBL11073050 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL1104618 | 0.76 | — | — | |
| SCHEMBL2027736 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL10929110 | 0.74 | — | — | |
| SCHEMBL9348718 | 0.73 | ALDH1A1 (0.53) | — | |
| SCHEMBL4369291 | 0.73 | ALDH1A1 (0.53) | — | |
| SCHEMBL1104620 | 0.71 | — | — | |
| SCHEMBL15435902 | 0.70 | — | — | |
| SCHEMBL12134688 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153307-B1 | Battery including electrolyte with mixed solvent | QUALLION LLC (US) | 2012-04-10 | — | — | US | disclosed |
| US-7771496-B1 | Reduction of impurities in battery electrolyte | QUALLION LLC (US) | 2010-08-10 | — | — | US | disclosed |