⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3126404 | 0.79 | CA1 (0.32) | — | |
| SCHEMBL11328680 | 0.76 | CA1 (0.31) | — | |
| SCHEMBL23566461 | 0.76 | CA5A (0.33) | — | |
| SCHEMBL13277844 | 0.73 | CA5A (0.31) | — | |
| SCHEMBL11052346 | 0.70 | FABP3 (0.31) | — | |
| SCHEMBL1538519 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL28170810 | 0.67 | CA1 (0.34) | — | |
| SCHEMBL11757248 | 0.67 | — | — | |
| SCHEMBL31424062 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL9792971 | 0.65 | — | — |
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-0351918-B1 | Process for the lactonization of mevinic acids and analogs thereof | MERCK & CO INC (US) | 1994-09-14 | — | — | EP | claimed |