⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16149850 | 0.73 | — | — | |
| SCHEMBL8999425 | 0.62 | — | — | |
| SCHEMBL6428680 | 0.57 | OR51E2 (0.33) | — | |
| SCHEMBL65448 | 0.55 | EYA2 (0.30) | — | |
| SCHEMBL28664155 | 0.55 | EYA2 (0.30) | — | |
| SCHEMBL1270484 | 0.53 | — | — | |
| SCHEMBL17151005 | 0.52 | CA12 (0.30) | — | |
| SCHEMBL224019 | 0.52 | — | — | |
| SCHEMBL15266660 | 0.51 | ALDH1A1 (0.33) | — | |
| SCHEMBL9581670 | 0.51 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1296503-A | Blocked oligomeric isocyanates, their production and use | CLARIANT FINANCE BVI LTD (VG) | 2001-05-23 | — | — | CN | disclosed |
| US-4452606-A | Compositions useful for improving the fastness of dyeings on cellulosic substrates: precondensates of N-methylol compound with polyalkylene polyamine-epihalohydrin product | SANDOZ LTD. (CH) | 1984-06-05 | — | — | US | disclosed |