⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6208316 | 0.87 | — | — | |
| SCHEMBL20599343 | 0.84 | TUBB1 (0.37) | — | |
| SCHEMBL34956 | 0.84 | TUBB1 (0.37) | — | |
| SCHEMBL29373037 | 0.84 | TUBB1 (0.37) | — | |
| SCHEMBL7117533 | 0.81 | TUBB1 (0.37) | — | |
| SCHEMBL6015169 | 0.80 | KMT2A (0.35) | — | |
| SCHEMBL6207638 | 0.80 | CYP1A2 (0.33) | — | |
| SCHEMBL5231765 | 0.80 | GABRA1 (0.46) | — | |
| SCHEMBL27176003 | 0.80 | GABRA1 (0.46) | — | |
| SCHEMBL6015160 | 0.78 | HPGD (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1425342-A4 | NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME | MILLIKEN & CO (US) | 2005-01-05 | — | — | EP | claimed |
| EP-1425342-A2 | NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME | Milliken & Company (US) | 2004-06-09 | — | — | EP | claimed |
| US-20030127631-A1 | Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same | ANDERSON JOHN D (US) | 2003-07-10 | — | — | US | claimed |
| US-20030008951-A1 | Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same | MILLIKEN & COMPANY | 2003-01-09 | — | — | US | claimed |
| WO-2002077086-A2 | NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME | MILLIKEN & COMPANY (US) | 2002-10-03 | — | — | WO | claimed |