⚠ 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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL27151131 | 0.76 | — | — | |
| SCHEMBL23044067 | 0.76 | — | — | |
| Formaldehyde SCHEMBL2209977 | 0.76 | — | — | |
| SCHEMBL2339 | 0.76 | — | — | |
| SCHEMBL11038950 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL25019 | 0.68 | — | — | |
| Fluoride SCHEMBL27337172 | 0.68 | — | — | |
| Water SCHEMBL25365379 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL9799153 | 0.68 | — | — | |
| SCHEMBL6113934 | 0.68 | — | — |
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-5574017-A | Antibacterial agents | GUTHEIL WILLIAM G (US) | 1996-11-12 | — | — | US | disclosed |