⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL963456 | 0.89 | — | — | |
| SCHEMBL17133257 | 0.86 | MTNR1A (0.32) | — | |
| SCHEMBL17133224 | 0.85 | — | — | |
| SCHEMBL17133230 | 0.83 | — | — | |
| SCHEMBL114474 | 0.80 | EPHX1 (0.34) | — | |
| SCHEMBL3910012 | 0.79 | EPHX1 (0.37) | — | |
| SCHEMBL559905 | 0.78 | TDP1 (0.34) | — | |
| SCHEMBL17133251 | 0.78 | — | — | |
| SCHEMBL1069805 | 0.78 | EPHX1 (0.33) | — | |
| SCHEMBL3916972 | 0.77 | EPHX1 (0.40) | — |
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-2015144384-A1 | SILANE CONTAINING RESPECTIVELY AT LEAST TWO ALKOXY GROUPS AND A GUANIDONO OR CARBAMIDE GROUP | EVONIK DEGUSSA GMBH (DE) | 2015-10-01 | — | — | WO | disclosed |