⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5179239 | 0.88 | — | — | |
| SCHEMBL5180522 | 0.84 | — | — | |
| SCHEMBL9670422 | 0.82 | — | — | |
| SCHEMBL5179851 | 0.77 | — | — | |
| SCHEMBL3247739 | 0.72 | — | — | |
| SCHEMBL7428860 | 0.72 | — | — | |
| SCHEMBL5180559 | 0.72 | — | — | |
| SCHEMBL7939245 | 0.69 | — | — | |
| SCHEMBL12604879 | 0.69 | SIGMAR1 (0.33) | — | |
| SCHEMBL9677995 | 0.69 | CYP1A2 (0.41) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1505094-B1 | THIOURETHANE-BASED OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2014-01-22 | — | — | EP | disclosed |
| US-7396900-B2 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2008-07-08 | — | — | US | disclosed |
| US-7244808-B2 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2007-07-17 | — | — | US | disclosed |
| US-20070149822-A1 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2007-06-28 | — | — | US | disclosed |
| EP-1057808-B1 | Sulfur-containing unsaturated carboxylate compound and its use | MITSUI CHEMICALS INC (JP) | 2007-03-14 | — | — | EP | disclosed |
| US-20050131203-A1 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2005-06-16 | — | — | US | disclosed |
| EP-1505094-A1 | THIOURETHANE-BASED OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2005-02-09 | — | — | EP | disclosed |
| US-6458908-B1 | A PROCESS FOR PREPARING A SULFUR-CONTAINING UNSATURATED CARBOXYLATE COMPOUND AS CLAIMED IN CLAIM 1 COMPRISING REACTING A SULFUR-CONTAINING DERIVATIVE FOR OPTICAL POLYMERS | MITSUI CHEMICALS, INC. (JP) | 2002-10-01 | — | — | US | disclosed |
| EP-1057808-A2 | Sulfur-containing unsaturated carboxylate compound and its use | Mitsui Chemicals, Inc. (JP) | 2000-12-06 | — | — | EP | disclosed |