⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14144677 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL29044795 | 0.77 | — | — | |
| SCHEMBL14316572 | 0.73 | — | — | |
| SCHEMBL6692077 | 0.72 | — | — | |
| SCHEMBL22232951 | 0.72 | PAOX (0.41) | — | |
| SCHEMBL23869465 | 0.72 | — | — | |
| SCHEMBL31305774 | 0.72 | — | — | |
| SCHEMBL5733426 | 0.69 | — | — | |
| SCHEMBL8034677 | 0.67 | — | — | |
| SCHEMBL261334 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104334629-B | Rubber composition for tire tread and pneumatic tire | 住友橡胶工业株式会社 | 2016-08-24 | — | — | CN | disclosed |
| US-20130020468-A1 | SOLID-STATE IMAGING DEVICE, MANUFACTURING METHOD OF SOLID-STATE IMAGING DEVICE, MANUFACTURING METHOD OF SEMICONDUCTOR DEVICE, SEMICONDUCTOR DEVICE, AND ELECTRONIC DEVICE | SONY CORPORATION (JP) | 2013-01-24 | — | — | US | disclosed |
| WO-2007005737-A2 | AMINE OXIDASE INHIBITORS | CASE WESTERN RESERVE UNIVERSITY (US) | 2007-01-11 | — | — | WO | disclosed |