⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL366726 | 1.00 | — | — | |
| SCHEMBL35945 | 1.00 | — | — | |
| SCHEMBL6451815 | 0.98 | TDP1 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL1025751 | 0.98 | TDP1 (0.46) | — | |
| Alcohol SCHEMBL6194629 | 0.94 | TDP1 (0.43) | — | |
| SCHEMBL9064822 | 0.90 | TDP1 (0.41) | — | |
| 3-Methylbutanoic Acid SCHEMBL9561318 | 0.87 | TDP1 (0.42) | — | |
| Acrylic Acid Methyl Ester SCHEMBL28813908 | 0.87 | TSHR (0.44) | — | |
| Ethyl Acetate SCHEMBL22497797 | 0.87 | ALDH1A1 (0.50) | — | |
| SCHEMBL19105479 | 0.86 | TDP1 (0.41) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9481817-B2 | Composition for the production of silicone rubber materials | NITROCHEMIE ASCHAU GMBH (DE) | 2016-11-01 | — | — | US | disclosed |
| US-20160017195-A1 | COMPOSITION FOR THE PRODUCTION OF SILICONE RUBBER MATERIALS | NITROCHEMIE ASCHAU GMBH (DE) | 2016-01-21 | — | — | US | disclosed |
| US-8569439-B2 | Hardener for silicone rubber materials | NITRO-CHEMIE ASCHAU GMBH (DE) | 2013-10-29 | — | — | US | disclosed |
| US-20120016072-A1 | HARDENER FOR SILICONE RUBBER MATERIALS | NITRO-CHEME ASCHAU GmbH (DE) | 2012-01-19 | — | — | US | disclosed |
| WO-2009027103-A2 | A HARDENER FOR SILICONE RUBBER MATERIALS | NITROCHEMIE ASCHAU GMBH (DE) | 2009-03-05 | — | — | WO | disclosed |
| EP-1305285-B1 | N-SUBSTITUTED INDOLES USEFUL IN THE TREATMENT OF DIABETES | MERCK & CO INC (US) | 2007-05-16 | — | — | EP | disclosed |