⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15517606 | 0.89 | — | — | |
| SCHEMBL9916141 | 0.83 | — | — | |
| SCHEMBL19266427 | 0.80 | — | — | |
| SCHEMBL15518215 | 0.80 | — | — | |
| SCHEMBL6112846 | 0.79 | CHRM2 (0.33) | — | |
| SCHEMBL15517529 | 0.79 | — | — | |
| SCHEMBL22768363 | 0.79 | — | — | |
| SCHEMBL15518955 | 0.79 | — | — | |
| SCHEMBL15517996 | 0.76 | — | — | |
| SCHEMBL15517579 | 0.76 | ALDH1A1 (0.39) | — |
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-20200388884-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY DEVICE INCLUDING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2020-12-10 | — | — | US | disclosed |