⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29236494 | 1.00 | — | — | |
| SCHEMBL20684074 | 0.88 | — | — | |
| SCHEMBL24200855 | 0.86 | — | — | |
| SCHEMBL2813662 | 0.80 | — | — | |
| SCHEMBL22592145 | 0.71 | — | — | |
| SCHEMBL77862 | 0.71 | — | — | |
| SCHEMBL15271437 | 0.69 | — | — | |
| SCHEMBL15271332 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL15271238 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL23106839 | 0.67 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10040947-B2 | Primer composition | MITSUI CHEMICALS, INC. (JP) | 2018-08-07 | — | — | US | disclosed |
| EP-2258780-B1 | PRIMER COMPOSITION | MITSUI CHEMICALS INC (JP) | 2012-09-26 | — | — | EP | disclosed |
| US-20110014483-A1 | PRIMER COMPOSITION | MITSUI CHEMICALS, INC. | 2011-01-20 | — | — | US | disclosed |
| EP-2258780-A1 | PRIMER COMPOSITION | Mitsui Chemicals, Inc. (JP) | 2010-12-08 | — | — | EP | disclosed |
| US-6653425-B1 | Addition polymerization (alkynylthiohydrocarbyl) sulfides; acetylenic homo- or copolymers; optical telecommunications | CORNING INCORPORATED | 2003-11-25 | — | — | US | disclosed |