⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL497542 | 0.82 | — | — | |
| SCHEMBL561773 | 0.72 | — | — | |
| SCHEMBL3620014 | 0.69 | — | — | |
| SCHEMBL7654004 | 0.69 | — | — | |
| SCHEMBL3627418 | 0.65 | — | — | |
| SCHEMBL3397969 | 0.65 | — | — | |
| Propiolic Acid SCHEMBL1077 | 0.64 | — | — | |
| SCHEMBL529780 | 0.64 | — | — | |
| Propiolic Acid SCHEMBL4192977 | 0.64 | CA1 (0.36) | — | |
| SCHEMBL405887 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7626059-B2 | Multifunctional ethynyl substituted monomers and polyarylene compositions therefrom | DOW GLOBAL TECHNOLOGIES INC. | 2009-12-01 | — | — | US | disclosed |
| US-20090012193-A1 | Multifunctional Ethynyl Substituted Monomers and Polyarylene Compositions Therefrom | DOW GLOBAL TECHNOLOGIES LLC | 2009-01-08 | — | — | US | disclosed |
| WO-2005037761-A2 | MULTIFUNCTIONAL ETHYNYL SUBSTITUTED MONOMERS AND POLYARYLENE COMPOSITIONS THEREFROM | DOW GLOBAL TECHNOLOGIES INC. (US) | 2005-04-28 | — | — | WO | disclosed |