⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5697593 | 0.74 | CA1 (0.33) | — | |
| SCHEMBL7419364 | 0.69 | CYP3A4 (0.37) | — | |
| SCHEMBL27625708 | 0.69 | HSD17B10 (0.31) | — | |
| SCHEMBL25414410 | 0.68 | — | — | |
| SCHEMBL5697615 | 0.68 | KMT2A (0.30) | — | |
| SCHEMBL15912641 | 0.64 | HSD17B10 (0.31) | — | |
| SCHEMBL7022235 | 0.64 | CYP3A4 (0.33) | — | |
| SCHEMBL18339342 | 0.62 | LMNA (0.30) | — | |
| SCHEMBL27625748 | 0.62 | LMNA (0.30) | — | |
| SCHEMBL30712215 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0361341-A2 | Therapeutics for aids based on inhibitors of HIV protease | MILES INC. (US) | 1990-04-04 | — | — | EP | disclosed |