⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5596862 | 0.83 | — | — | |
| SCHEMBL3871372 | 0.80 | — | — | |
| SCHEMBL64309 | 0.75 | — | — | |
| SCHEMBL3893274 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL915334 | 0.73 | — | — | |
| SCHEMBL12124144 | 0.72 | — | — | |
| SCHEMBL183066 | 0.71 | — | — | |
| SCHEMBL135560 | 0.69 | — | — | |
| SCHEMBL6437405 | 0.69 | — | — | |
| SCHEMBL13472301 | 0.68 | CYP3A4 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005108515-A1 | SILANE CROSS-LINKABLE COATING FORMULATIONS THAT CONTAIN PARTICLES | Consortium für elektrochemische Industrie GmbH (DE) | 2005-11-17 | — | — | WO | disclosed |