⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22974968 | 0.83 | — | — | |
| SCHEMBL17987659 | 0.67 | — | — | |
| SCHEMBL2462816 | 0.62 | — | — | |
| SCHEMBL3481574 | 0.58 | — | — | |
| SCHEMBL7388802 | 0.56 | — | — | |
| Hexane SCHEMBL3624927 | 0.55 | TSHR (0.39) | — | |
| SCHEMBL55156 | 0.51 | — | — | |
| SCHEMBL9148843 | 0.50 | — | — | |
| SCHEMBL235048 | 0.50 | — | — | |
| SCHEMBL528410 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180087150-A1 | CATALYTIC DEHYDROGENATIVE COUPLING OF CARBOSILANES WITH AMMONIA, AMINES AND AMIDINES | L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 2018-03-29 | — | — | US | disclosed |