⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4583164 | 0.74 | — | — | |
| SCHEMBL4439298 | 0.74 | — | — | |
| SCHEMBL50791 | 0.61 | GAA (0.39) | — | |
| SCHEMBL9016437 | 0.59 | — | — | |
| SCHEMBL50752 | 0.57 | ALDH1A1 (0.30) | — | |
| SCHEMBL1681681 | 0.56 | ALDH1A1 (0.50) | — | |
| SCHEMBL18860665 | 0.56 | — | — | |
| SCHEMBL3767078 | 0.55 | — | — | |
| SCHEMBL6864221 | 0.55 | MAOA (0.31) | — | |
| SCHEMBL3001013 | 0.52 | CRBN (0.39) | — |
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-2620429-A1 | Hydroxylamine compounds and methods of their use | Colby Pharmaceutical Company (US) | 2013-07-31 | — | — | EP | disclosed |
| EP-2120942-A2 | DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE | Othera Holding, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20080280890-A1 | HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE | COLBY PHARMACEUTICAL COMPANY | 2008-11-13 | — | — | US | disclosed |
| US-20080200405-A1 | Drug Resistance Reversal In Neoplastic Disease | COLBY PHARMACEUTICAL COMPANY | 2008-08-21 | — | — | US | disclosed |
| WO-2008101195-A2 | DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE | OTHERA HOLDING, INC. (US) | 2008-08-21 | — | — | WO | disclosed |