⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29833360 | 0.74 | — | — | |
| SCHEMBL472598 | 0.67 | — | — | |
| SCHEMBL31006320 | 0.57 | — | — | |
| SCHEMBL11866001 | 0.56 | ADRA2C (0.37) | — | |
| SCHEMBL30947815 | 0.53 | — | — | |
| SCHEMBL11283108 | 0.52 | CES1 (0.31) | — | |
| SCHEMBL5842293 | 0.51 | — | — | |
| SCHEMBL3510724 | 0.50 | ADRA2C (0.37) | — | |
| SCHEMBL31006321 | 0.49 | — | — | |
| SCHEMBL18878239 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1288336-A1 | Process for inhibiting corrosion in aqueous systems with halogen treated aromatic azoles | ROHM AND HAAS COMPANY (US) | 2003-03-05 | — | — | EP | claimed |
| US-20030035749-A1 | Process for treating aqueous systems | HANN WILLIAM M (US) | 2003-02-20 | — | — | US | claimed |
| EP-1288336-A1 | Process for inhibiting corrosion in aqueous systems with halogen treated aromatic azoles | ROHM AND HAAS COMPANY (US) | 2003-03-05 | — | — | EP | disclosed |
| US-20030035749-A1 | Process for treating aqueous systems | HANN WILLIAM M (US) | 2003-02-20 | — | — | US | disclosed |