⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9013248 | 1.00 | — | — | |
| SCHEMBL25433521 | 0.79 | — | — | |
| SCHEMBL7553235 | 0.77 | TRPA1 (0.33) | — | |
| SCHEMBL14119057 | 0.77 | — | — | |
| SCHEMBL2780467 | 0.77 | TRPA1 (0.33) | — | |
| SCHEMBL6360605 | 0.77 | — | — | |
| SCHEMBL4655872 | 0.77 | — | — | |
| SCHEMBL660786 | 0.77 | — | — | |
| SCHEMBL14118456 | 0.77 | — | — | |
| SCHEMBL4260300 | 0.76 | MAPK1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104106162-B | Active material for negative electrode of nonaqueous secondary battery, negative electrode using same, and nonaqueous secondary battery | 三菱化学株式会社 | 2017-09-01 | — | — | CN | disclosed |
| EP-0743299-A1 | Process for the preparation of 2-fluorocyclopropylamine sulfonic acid salts and the chemical compound 2-fluorocyclopropylisocyanate | BAYER AG (DE) | 1996-11-20 | — | — | EP | disclosed |