⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2218928 | 0.74 | — | — | |
| SCHEMBL8727419 | 0.62 | TDP1 (0.33) | — | |
| SCHEMBL2214978 | 0.61 | — | — | |
| SCHEMBL2218376 | 0.58 | TDP1 (0.45) | — | |
| SCHEMBL7055163 | 0.55 | — | — | |
| SCHEMBL9423101 | 0.52 | — | — | |
| SCHEMBL6443971 | 0.50 | — | — | |
| SCHEMBL8315395 | 0.48 | — | — | |
| SCHEMBL12432228 | 0.46 | — | — | |
| SCHEMBL2498768 | 0.46 | — | — |
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-2008998-B1 | PROCESS FOR PRODUCTION OF (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2013-06-05 | — | — | EP | disclosed |
| US-20110178264-A1 | PROCESS FOR PRODUCING (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2011-07-21 | — | — | US | disclosed |
| US-20100298521-A1 | PROCESS FOR PRODUCING (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2010-11-25 | — | — | US | disclosed |
| US-20090264613-A1 | PROCESS FOR PRODUCING (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2009-10-22 | — | — | US | disclosed |
| EP-2008998-A1 | PROCESS FOR PRODUCTION OF (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND | Mitsui Chemicals, Inc. (JP) | 2008-12-31 | — | — | EP | disclosed |