⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31474858 | 0.82 | — | — | |
| SCHEMBL25301746 | 0.80 | — | — | |
| Isopropylamine SCHEMBL28349866 | 0.78 | OPRM1 (0.33) | — | |
| SCHEMBL26915605 | 0.76 | — | — | |
| Methylamine SCHEMBL978488 | 0.74 | — | — | |
| SCHEMBL28028831 | 0.74 | — | — | |
| SCHEMBL35885 | 0.74 | — | — | |
| SCHEMBL4815448 | 0.74 | — | — | |
| SCHEMBL7760586 | 0.73 | — | — | |
| SCHEMBL29534378 | 0.73 | ALDH1A1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006078628-A1 | AMBIENT CURED FLEXIBLE FLUOROELASTOMER COATINGS AND COATED PRODUCTS | LORD CORPORATION (US) | 2006-07-27 | — | — | WO | disclosed |
| EP-1290104-A2 | COOLANT RESISTANT AND THERMALLY STABLE PRIMER COMPOSITION | Lord Corporation (US) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001090270-A2 | COOLANT RESISTANT AND THERMALLY STABLE PRIMER COMPOSITION | LORD CORPORATION (US) | 2001-11-29 | — | — | WO | disclosed |