⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2853648 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28966876 | 0.76 | — | — | |
| SCHEMBL5819883 | 0.74 | — | — | |
| Methyl Alcohol SCHEMBL28320506 | 0.74 | — | — | |
| SCHEMBL7602540 | 0.73 | — | — | |
| Dimethylamine SCHEMBL28057747 | 0.73 | — | — | |
| SCHEMBL7650659 | 0.72 | — | — | |
| SCHEMBL6140733 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL839007 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL29233366 | 0.72 | TSHR (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0591784-B1 | Use of grafted polyorganosiloxane products for the finishing of leather | BAYER AG (DE) | 1997-08-13 | — | — | EP | disclosed |
| EP-0407799-B1 | Reinforcing agent for textile fabrics | BAYER AG (DE) | 1994-08-10 | — | — | EP | disclosed |
| EP-0591784-A2 | Use of grafted polyorganosiloxane products for the finishing of leather | BAYER AG (DE) | 1994-04-13 | — | — | EP | disclosed |
| US-5278228-A | Oxidation and heat resistance, elasticity | BAYER AKTIENGESELLSCHAFT (DE) | 1994-01-11 | — | — | US | disclosed |
| EP-0407799-A2 | Reinforcing agent for textile fabrics | BAYER AG (DE) | 1991-01-16 | — | — | EP | disclosed |