⚠ 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 | |
|---|---|---|---|---|
| Allylamine SCHEMBL7866713 | 0.86 | — | — | |
| Allylamine SCHEMBL11875810 | 0.86 | ALDH1A1 (0.60) | — | |
| Allylamine SCHEMBL8725000 | 0.84 | — | — | |
| Allylamine SCHEMBL15197 | 0.83 | — | — | |
| Allylamine SCHEMBL6032547 | 0.83 | — | — | |
| Allylamine SCHEMBL20240361 | 0.80 | — | — | |
| Allylamine SCHEMBL3369484 | 0.79 | — | — | |
| Allylamine SCHEMBL13256599 | 0.79 | — | — | |
| Allylamine SCHEMBL5891273 | 0.79 | — | — | |
| Allylamine SCHEMBL169953 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0983304-A1 | DERMATAN DISULFATE, AN INHIBITOR OF THROMBIN GENERATION AND COMPLEMENT ACTIVATION | Dermatan Products Limited (US) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998034959-A1 | DERMATAN DISULFATE, AN INHIBITOR OF THROMBIN GENERATION AND COMPLEMENT ACTIVATION | DERMATAN PRODUCTS LIMITED (US) | 1998-08-13 | — | — | WO | disclosed |