⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL21821302 | 0.87 | CHRNB2 (0.42) | — | |
| SCHEMBL19038562 | 0.87 | ACHE (0.50) | — | |
| SCHEMBL16674069 | 0.85 | ACHE (0.60) | — | |
| SCHEMBL13060419 | 0.82 | — | — | |
| SCHEMBL16673943 | 0.81 | ACHE (0.63) | — | |
| SCHEMBL965762 | 0.81 | — | — | |
| SCHEMBL10642966 | 0.81 | CHRNB2 (0.47) | — | |
| SCHEMBL18902744 | 0.81 | ACHE (0.47) | — | |
| SCHEMBL16661375 | 0.79 | ACHE (0.78) | — | |
| Hydrochloric Acid SCHEMBL9812797 | 0.79 | CHRNB2 (0.42) | — |
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-9957290-B2 | Derivatives of amphotericin B | SFUNGA THERAPEUTICS, INC. (US) | 2018-05-01 | — | — | US | disclosed |