⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL484250 | 0.86 | — | — | |
| SCHEMBL57311 | 0.62 | ACHE (0.57) | — | |
| SCHEMBL19337923 | 0.59 | FBP1 (0.33) | — | |
| SCHEMBL25415087 | 0.58 | ACHE (0.50) | — | |
| SCHEMBL944301 | 0.57 | ACHE (0.47) | — | |
| Toluene SCHEMBL10384288 | 0.55 | ACHE (0.61) | — | |
| SCHEMBL3885250 | 0.55 | MAPT (0.67) | — | |
| SCHEMBL6002394 | 0.55 | MAPT (0.67) | — | |
| SCHEMBL10453378 | 0.54 | ACHE (0.50) | — | |
| SCHEMBL10702118 | 0.54 | ACHE (0.50) | — |
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-2065414-B1 | POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE RESIN | MITSUI CHEMICALS INC (JP) | 2014-04-30 | — | — | EP | disclosed |
| US-8586695-B2 | 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) | 2013-11-19 | — | — | US | disclosed |
| US-20110065884-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) | 2011-03-17 | — | — | US | disclosed |
| 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 |
| EP-2065414-A1 | POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE RESIN | Mitsui Chemicals, Inc. (JP) | 2009-06-03 | — | — | EP | disclosed |