⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9735674 | 1.00 | — | — | |
| SCHEMBL9735800 | 0.88 | LPAR1 (0.47) | — | |
| SCHEMBL9735797 | 0.88 | LPAR1 (0.47) | — | |
| SCHEMBL9848434 | 0.85 | — | — | |
| SCHEMBL9848384 | 0.85 | — | — | |
| SCHEMBL9848379 | 0.85 | — | — | |
| SCHEMBL9734959 | 0.84 | LPAR1 (0.44) | — | |
| SCHEMBL9735591 | 0.83 | LPAR1 (0.49) | — | |
| SCHEMBL9734479 | 0.83 | LPAR1 (0.49) | — | |
| SCHEMBL9734484 | 0.82 | POLB (0.49) | — |
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-5106873-A | ACAT inhibitors | WARNER-LAMBERT COMPANY (US) | 1992-04-21 | — | — | US | claimed |