⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7187398 | 0.92 | — | — | |
| SCHEMBL7188958 | 0.92 | — | — | |
| SCHEMBL7193548 | 0.90 | — | — | |
| SCHEMBL7187415 | 0.89 | — | — | |
| SCHEMBL7194993 | 0.89 | — | — | |
| SCHEMBL7189310 | 0.87 | — | — | |
| SCHEMBL7187386 | 0.85 | — | — | |
| SCHEMBL7187453 | 0.84 | — | — | |
| SCHEMBL7194738 | 0.84 | — | — | |
| SCHEMBL7191545 | 0.82 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8772441-B2 | Polyurethanes polymerizable composition and method for producing optical resin of the same | MITSUI CHEMICALS, INC. (JP) | 2014-07-08 | — | — | US | disclosed |
| 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 |
| EP-1746118-B1 | POLYURETHANE POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCING OPTICAL RESIN COMPOSED OF SAME | MITSUI CHEMICALS INC (JP) | 2012-09-26 | — | — | EP | 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 |
| US-20070203318-A1 | Polyurethanes Polymerizable Composition And Method For Producing Optical Resin Of The Same | MITSUI CHEMICALS, INC. (JP) | 2007-08-30 | — | — | US | disclosed |
| EP-1746118-A1 | POLYURETHANE POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCING OPTICAL RESIN COMPOSED OF SAME | Mitsui Chemicals, Inc. (JP) | 2007-01-24 | — | — | 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 |