⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11716 | 0.97 | — | — | |
| SCHEMBL737335 | 0.94 | HRH3 (0.55) | — | |
| SCHEMBL2102597 | 0.94 | HRH3 (0.55) | — | |
| SCHEMBL12504205 | 0.94 | HRH3 (0.55) | — | |
| SCHEMBL27957906 | 0.94 | — | — | |
| SCHEMBL246069 | 0.94 | — | — | |
| SCHEMBL736624 | 0.94 | HRH3 (0.55) | — | |
| Water SCHEMBL29029809 | 0.91 | HRH3 (0.52) | — | |
| SCHEMBL19837631 | 0.91 | HRH3 (0.52) | — | |
| SCHEMBL787670 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104603990-B | Lithium secondary battery and its manufacture method | 丰田自动车株式会社 | 2017-06-06 | — | — | CN | disclosed |