⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22361239 | 0.83 | — | — | |
| SCHEMBL20464023 | 0.79 | — | — | |
| SCHEMBL19478689 | 0.75 | — | — | |
| SCHEMBL18211439 | 0.71 | — | — | |
| SCHEMBL7053957 | 0.69 | — | — | |
| SCHEMBL200151 | 0.69 | — | — | |
| SCHEMBL7049886 | 0.69 | — | — | |
| SCHEMBL7049888 | 0.69 | — | — | |
| SCHEMBL15399990 | 0.67 | — | — | |
| SCHEMBL19546243 | 0.65 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170349692-A1 | POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL AND USE THEREOF | MITSUI CHEMICALS, INC. (JP) | 2017-12-07 | — | — | US | disclosed |
| US-9777103-B2 | Polythiol composition, polymerizable composition for optical material and use thereof | MITSUI CHEMICALS, INC. (JP) | 2017-10-03 | — | — | US | disclosed |
| US-9637584-B2 | Method for producing polythiol compound, polymerizable composition for optical material, and uses thereof | MITSUI CHEMICALS, INC. (JP) | 2017-05-02 | — | — | US | disclosed |
| US-20160024242-A1 | METHOD FOR PRODUCING POLYTHIOL COMPOUND, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND USES THEREOF | MITSUI CHEMICALS., INC. (JP) | 2016-01-28 | — | — | US | disclosed |
| US-9181179-B2 | Method for producing polythiol compound, polymerizable composition for optical material, and uses thereof | MITSUI CHEMICALS, INC. (JP) | 2015-11-10 | — | — | US | disclosed |
| US-20150133692-A1 | METHOD FOR PRODUCING POLYTHIOL COMPOUND, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND USES THEREOF | MITSUI CHEMICALS, INC. (JP) | 2015-05-14 | — | — | US | disclosed |
| US-20150094443-A1 | POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL AND USE THEREOF | MITSUI CHEMICALS, INC. (JP) | 2015-04-02 | — | — | US | disclosed |