⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL796456 | 0.97 | KDM4E (0.30) | — | |
| SCHEMBL797175 | 0.88 | ABCB11 (0.33) | — | |
| SCHEMBL797601 | 0.83 | LDHA (0.36) | — | |
| SCHEMBL797847 | 0.79 | KDM4E (0.47) | — | |
| SCHEMBL796776 | 0.78 | LDHA (0.44) | — | |
| SCHEMBL2309435 | 0.77 | KDM4E (0.38) | — | |
| SCHEMBL797683 | 0.76 | LDHA (0.33) | — | |
| SCHEMBL797349 | 0.73 | CNR1 (0.39) | — | |
| SCHEMBL14804868 | 0.73 | LDHA (0.31) | — | |
| SCHEMBL14804870 | 0.70 | — | — |
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 4 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 |
| 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 |