⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28108487 | 0.91 | — | — | |
| SCHEMBL28849565 | 0.91 | LMNA (0.47) | — | |
| SCHEMBL5268 | 0.91 | — | — | |
| Ethylamine SCHEMBL27427305 | 0.88 | LMNA (0.55) | — | |
| SCHEMBL3381686 | 0.88 | — | — | |
| Butane SCHEMBL25220481 | 0.88 | LMNA (0.45) | — | |
| SCHEMBL22581628 | 0.88 | — | — | |
| SCHEMBL20533540 | 0.88 | — | — | |
| SCHEMBL20533802 | 0.88 | — | — | |
| SCHEMBL20533675 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |