⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL103787 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL1758354 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL20359411 | 0.69 | — | — | |
| SCHEMBL7624182 | 0.69 | — | — | |
| SCHEMBL7617702 | 0.65 | — | — | |
| SCHEMBL5416105 | 0.65 | — | — | |
| SCHEMBL10969537 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL7256697 | 0.64 | — | — | |
| SCHEMBL11787353 | 0.64 | — | — | |
| SCHEMBL31142022 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017880-B1 | METHOD AND COMPOSITIONS FOR PREVENTING CORROSION OF METAL SUBSTRATES | CHEMETALL PLC (GB) | 2002-05-08 | — | — | EP | disclosed |
| US-6203854-B1 | Methods of and compositions for preventing corrosion of metal substrates | BRENT INTERNATIONAL PLC (GB) | 2001-03-20 | — | — | US | disclosed |
| EP-1017880-A1 | METHOD AND COMPOSITIONS FOR PREVENTING CORROSION OF METAL SUBSTRATES | BRENT INTERNATIONAL PLC (GB) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999014399-A1 | METHOD AND COMPOSITIONS FOR PREVENTING CORROSION OF METAL SUBSTRATES | BRENT INTERNATIONAL PLC (GB) | 1999-03-25 | — | — | WO | disclosed |