⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17469855 | 0.82 | CA2 (0.33) | — | |
| SCHEMBL5552504 | 0.76 | — | — | |
| SCHEMBL17466305 | 0.69 | — | — | |
| SCHEMBL16160726 | 0.69 | — | — | |
| SCHEMBL5558123 | 0.69 | — | — | |
| SCHEMBL29290532 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL374821 | 0.63 | — | — | |
| SCHEMBL10904910 | 0.63 | CA2 (0.39) | — | |
| SCHEMBL9743938 | 0.63 | CA2 (0.50) | — | |
| SCHEMBL17456489 | 0.61 | — | — |
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-20160027592-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME | UBE INDUSTRIES, LTD. (JP) | 2016-01-28 | — | — | US | disclosed |