⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31575454 | 1.00 | — | — | |
| SCHEMBL30605472 | 0.80 | RNPEP (0.55) | — | |
| SCHEMBL18193482 | 0.80 | RNPEP (0.55) | — | |
| SCHEMBL9044248 | 0.79 | ACE (0.36) | — | |
| Methane SCHEMBL10439883 | 0.79 | RNPEP (0.53) | — | |
| SCHEMBL11505165 | 0.78 | — | — | |
| SCHEMBL2561665 | 0.78 | — | — | |
| SCHEMBL2125799 | 0.77 | KDM4E (0.38) | — | |
| SCHEMBL23829901 | 0.77 | METAP2 (0.39) | — | |
| SCHEMBL21242646 | 0.75 | — | — |
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-1999021008-A1 | PHARMACEUTICAL GRADE GARLIC | PHARMAPRINT, INC. (US) | 1999-04-29 | — | — | WO | disclosed |