⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1078358 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL6386936 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL1079335 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL1269410 | 0.76 | — | — | |
| SCHEMBL1268196 | 0.76 | — | — | |
| SCHEMBL1077251 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL29518667 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL29364929 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL9250387 | 0.74 | ALDH1A1 (0.32) | — | |
| Propane SCHEMBL28794113 | 0.71 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0731804-B1 | DI-, TRI- AND TETRAFUNCTIONAL METHYL ISOBUTYL AND METHYL AMYL KETOXIME-BASED SILANES | ALLIED SIGNAL INC (US) | 1999-05-12 | — | — | EP | claimed |
| US-20050059835-A1 | Methods of refining silane compounds | HONEYWELL INTERNATIONAL INC. (US) | 2005-03-17 | — | — | US | disclosed |