⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8612369 | 0.85 | ALDH1A1 (0.48) | — | |
| SCHEMBL17865658 | 0.82 | ALDH1A1 (0.37) | — | |
| Alcohol SCHEMBL28292678 | 0.78 | ALDH1A1 (0.48) | — | |
| SCHEMBL9012179 | 0.78 | — | — | |
| SCHEMBL7257060 | 0.78 | — | — | |
| SCHEMBL17865552 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL11866078 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL13270101 | 0.76 | — | — | |
| SCHEMBL10457016 | 0.76 | — | — | |
| SCHEMBL38654742 | 0.75 | — | — |
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-1013636-B1 | Preparation of allylic aromatic compounds | AMERSHAM HEALTH AS (NO) | 2003-07-09 | — | — | EP | disclosed |
| US-6284894-B1 | AROMATIC AMINE IS REACTED FIRST WITH A NITRITE AND THEN WITH AN ALLYLIC OLEFIN HAVING AN ELIMINATABLE TERMINAL SUBSTITUENT. | NYCOMED IMAGING AS (NO) | 2001-09-04 | — | — | US | disclosed |
| EP-1013636-A1 | Preparation of allylic aromatic compounds | NYCOMED IMAGING AS (NO) | 2000-06-28 | — | — | EP | disclosed |
| US-4933510-A | Propanol derivatives | SYMBICOM AKTIEBOLAG (SE) | 1990-06-12 | — | — | US | disclosed |