⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4611586 | 0.74 | — | — | |
| SCHEMBL8773260 | 0.71 | NPSR1 (0.39) | — | |
| SCHEMBL3089572 | 0.71 | — | — | |
| SCHEMBL3082711 | 0.71 | USP2 (0.32) | — | |
| SCHEMBL1326935 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL17165160 | 0.68 | — | — | |
| SCHEMBL3094999 | 0.68 | CYP2C19 (0.30) | — | |
| SCHEMBL6679592 | 0.67 | CYP2C19 (0.36) | — | |
| SCHEMBL3638544 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL785973 | 0.67 | ADORA3 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8283095-B2 | Thiourethane compound and photosensitive resin composition | SHOWA DENKO K.K. (JP) | 2012-10-09 | — | — | US | disclosed |
| US-20100233596-A1 | THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION | SHOWA DENKO K.K. (JP) | 2010-09-16 | — | — | US | disclosed |
| EP-2055726-A1 | THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION | Showa Denko K.K. (JP) | 2009-05-06 | — | — | EP | disclosed |