⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7127661 | 0.72 | — | — | |
| SCHEMBL66347 | 0.67 | — | — | |
| SCHEMBL1577075 | 0.67 | — | — | |
| SCHEMBL2834719 | 0.67 | — | — | |
| SCHEMBL10683660 | 0.64 | — | — | |
| SCHEMBL515456 | 0.64 | — | — | |
| Water SCHEMBL10524782 | 0.64 | MEN1 (0.67) | — | |
| SCHEMBL8528125 | 0.64 | — | — | |
| Nitroethane SCHEMBL35035 | 0.64 | — | — | |
| SCHEMBL1100249 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5011938-A | Antimicrobials | ELI LILLY AND COMPANY (US) | 1991-04-30 | — | — | US | disclosed |
| US-4940718-A | BACTERICIDES | ELI LILLY AND COMPANY (US) | 1990-07-10 | — | — | US | disclosed |
| EP-0202046-A1 | 7-Substituted bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-11-20 | — | — | EP | disclosed |