⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7592069 | 0.81 | TDP1 (0.33) | — | |
| SCHEMBL7529160 | 0.73 | — | — | |
| SCHEMBL17953254 | 0.73 | — | — | |
| SCHEMBL10636590 | 0.71 | — | — | |
| SCHEMBL15893612 | 0.71 | — | — | |
| SCHEMBL3808439 | 0.71 | — | — | |
| SCHEMBL10753481 | 0.71 | — | — | |
| SCHEMBL14700166 | 0.71 | — | — | |
| SCHEMBL127427 | 0.69 | — | — | |
| SCHEMBL14346468 | 0.69 | TDP1 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100029890-A1 | POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND PROCESS FOR PRODUCING THE RESIN | MITSUI CHEMICALS, INC. (JP) | 2010-02-04 | — | — | US | disclosed |