⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9848489 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9848427 | 0.78 | — | — | |
| SCHEMBL13480578 | 0.77 | SMN1; SMN2 (0.58) | — | |
| SCHEMBL8321568 | 0.77 | — | — | |
| SCHEMBL462304 | 0.77 | LPAR1 (0.66) | — | |
| SCHEMBL9513710 | 0.76 | — | — | |
| SCHEMBL9848516 | 0.76 | — | — | |
| SCHEMBL9735188 | 0.75 | — | — | |
| SCHEMBL9735184 | 0.75 | — | — | |
| SCHEMBL9848509 | 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 |
|---|---|---|---|---|---|---|---|
| US-5106873-A | ACAT inhibitors | WARNER-LAMBERT COMPANY (US) | 1992-04-21 | — | — | US | disclosed |