⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8606281 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL8379304 | 0.85 | — | — | |
| SCHEMBL8557544 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL8380941 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL8017229 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL7106689 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7935494 | 0.74 | SIGMAR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7109093 | 0.73 | — | — | |
| SCHEMBL7067021 | 0.71 | SIGMAR1 (0.34) | — | |
| SCHEMBL8206241 | 0.70 | HTR2A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1262469-B1 | POLYACENE DERIVATIVES AND PRODUCTION THEREOF | JAPAN SCIENCE & TECH AGENCY (JP) | 2012-01-11 | — | — | EP | disclosed |
| US-7901594-B2 | Electroconductivity | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2011-03-08 | — | — | US | disclosed |
| EP-1219657-B1 | POLYARYLENE AND METHOD FOR PRODUCTION THEREOF | JAPAN SCIENCE & TECH AGENCY (JP) | 2008-03-19 | — | — | EP | disclosed |
| US-6586554-B1 | Polyarylene and method for production thereof | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2003-07-01 | — | — | US | disclosed |
| US-20030116755-A1 | Polyacene derivatives and production thereof | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2003-06-26 | — | — | US | disclosed |
| EP-1262469-A1 | POLYACENE DERIVATIVES AND PRODUCTION THEREOF | Japan Science and Technology Corporation (JP) | 2002-12-04 | — | — | EP | disclosed |
| EP-1219657-A1 | POLYARYLENE AND METHOD FOR PRODUCTION THEREOF | Japan Science and Technology Corporation (JP) | 2002-07-03 | — | — | EP | disclosed |