⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7188178 | 0.87 | — | — | |
| SCHEMBL7188970 | 0.84 | — | — | |
| SCHEMBL7192955 | 0.84 | — | — | |
| SCHEMBL7188919 | 0.82 | — | — | |
| SCHEMBL7202237 | 0.82 | — | — | |
| SCHEMBL25280427 | 0.78 | — | — | |
| SCHEMBL7194691 | 0.75 | — | — | |
| SCHEMBL4182841 | 0.74 | — | — | |
| SCHEMBL7184390 | 0.72 | — | — | |
| SCHEMBL7187410 | 0.72 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1878758-B1 | POLYTHIOURETHANE POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCING OPTICAL RESIN BY USING SAME | MITSUI CHEMICALS INC (JP) | 2013-06-05 | — | — | EP | disclosed |
| US-8455610-B2 | Polythiourethane polymerizable composition and method for producing optical resin by using same | MITSUI CHEMICALS, INC. (JP) | 2013-06-04 | — | — | US | disclosed |
| US-20120277395-A1 | POLYTHIOURETHANE POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCING OPTICAL RESIN BY USING SAME | MITSUI CHEMICALS, INC. (JP) | 2012-11-01 | — | — | US | disclosed |
| US-8222366-B2 | Polythiourethane polymerizable composition and method for producing optical resin by using same | MITSUI CHEMICALS, INC. (JP) | 2012-07-17 | — | — | US | disclosed |
| US-20090030170-A1 | Polythiourethane Polymerizable Composition and Method for Producing Optical Resin by Using Same | MITSUI CHEMICALS , INC. (JP) | 2009-01-29 | — | — | US | disclosed |
| EP-1878758-A1 | POLYTHIOURETHANE POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCING OPTICAL RESIN BY USING SAME | Mitsui Chemicals, Inc. (JP) | 2008-01-16 | — | — | EP | disclosed |
| US-20030036620-A1 | From an aromatic isocyanate having a structure in which the isocyanate groups are not directly bonded to a benzene ring, an aliphatic isocyanate, an alicyclic isocyanate, and derivatives of these isocyanates. | MITSUI CHEMICALS, INC. (JP) | 2003-02-20 | — | — | US | disclosed |
| EP-1167416-A1 | URETHANE RESIN COMPOSITION FOR SEALING OPTOELECTRIC CONVERSION DEVICES | Mitsui Chemicals, Inc. (JP) | 2002-01-02 | — | — | EP | disclosed |