⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27900406 | 0.86 | — | — | |
| SCHEMBL27900390 | 0.81 | DNM1 (0.33) | — | |
| SCHEMBL27882997 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL979516 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL27900439 | 0.78 | DNM1 (0.39) | — | |
| SCHEMBL27883017 | 0.74 | DNM1 (0.34) | — | |
| SCHEMBL27900440 | 0.73 | — | — | |
| SCHEMBL18973956 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL18281575 | 0.72 | LPAR1 (0.38) | — | |
| SCHEMBL364845 | 0.72 | — | — |
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-102208681-B | Nonaqueous electrolyte solution and lithium secondary battery using same | MITSUBISHI CHEM CORP | 2012-11-21 | — | — | CN | disclosed |