⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL761496 | 0.82 | CYP3A4 (0.43) | — | |
| SCHEMBL9413861 | 0.80 | — | — | |
| SCHEMBL3393809 | 0.78 | — | — | |
| SCHEMBL1288180 | 0.78 | — | — | |
| SCHEMBL2843185 | 0.75 | — | — | |
| SCHEMBL761495 | 0.75 | CYP3A4 (0.38) | — | |
| SCHEMBL9811267 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL9865407 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL9865572 | 0.73 | CYP3A4 (0.37) | — | |
| SCHEMBL14863776 | 0.73 | MAPT (0.43) | — |
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-1993014100-A1 | AMPHOTERICIN B DERIVATIVES, THEIR PREPARATION AND USE | SMITHKLINE BEECHAM PLC (GB) | 1993-07-22 | — | — | WO | disclosed |