⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL767111 | 0.77 | TSHR (0.47) | — | |
| SCHEMBL1142643 | 0.77 | — | — | |
| SCHEMBL27280038 | 0.76 | — | — | |
| SCHEMBL1608791 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL2246144 | 0.74 | GABRR1 (0.32) | — | |
| SCHEMBL3699242 | 0.74 | — | — | |
| SCHEMBL28495025 | 0.73 | — | — | |
| SCHEMBL9228202 | 0.73 | TSHR (0.44) | — | |
| SCHEMBL2244067 | 0.72 | — | — | |
| SCHEMBL4351657 | 0.72 | ROCK2 (0.36) | — |
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-2888332-A1 | CATALYSIS OF SILANE-CROSSLINKABLE POLYMER COMPOSITIONS | Henkel AG&Co. KGAA (DE) | 2015-07-01 | — | — | EP | disclosed |
| WO-2014029837-A1 | CATALYSIS OF SILANE-CROSSLINKABLE POLYMER COMPOSITIONS | HENKEL AG & CO. KGAA (DE) | 2014-02-27 | — | — | WO | disclosed |