⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL9700732 | 0.80 | ALDH1A1 (0.81) | — | |
| SCHEMBL28243351 | 0.80 | HCAR2 (0.39) | — | |
| SCHEMBL10936503 | 0.78 | ALDH1A1 (0.52) | — | |
| SCHEMBL3673 | 0.76 | — | — | |
| SCHEMBL4018720 | 0.76 | KDM6B (0.43) | — | |
| SCHEMBL1332089 | 0.76 | — | — | |
| SCHEMBL1958756 | 0.76 | ALDH1A1 (1.00) | — | |
| SCHEMBL10699137 | 0.75 | ALDH1A1 (0.55) | — | |
| Bromide SCHEMBL10459370 | 0.74 | — | — | |
| Charcoal, Activated SCHEMBL1901032 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1503980-A2 | SUBSTITUTED HYDROXYETHYLAMINES | Elan Pharmaceuticals, Inc. (US) | 2005-02-09 | — | — | EP | claimed |
| WO-2003072535-A2 | SUBSTITUTED HYDROXYETHYLAMINES | ELAN PHARMACEUTICALS, INC. (US) | 2003-09-04 | — | — | WO | claimed |
| CN-117279971-A | Polyol complex liquid composition for producing hydrochlorofluoroolefin foam polyurethane foam and use thereof | 东曹株式会社 | 2023-12-22 | — | — | CN | disclosed |