⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9781029 | 0.88 | — | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.52 | RXFP1 (0.33) | — | |
| Hexamethylbenzene SCHEMBL8980194 | 0.47 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL3853890 | 0.47 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL4863600 | 0.47 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL9577265 | 0.47 | RXFP1 (0.31) | — | |
| SCHEMBL12378050 | 0.47 | — | — | |
| Hexamethylbenzene SCHEMBL10609849 | 0.47 | RXFP1 (0.31) | — | |
| SCHEMBL90230 | 0.47 | — | — | |
| Hexamethylbenzene SCHEMBL10941660 | 0.47 | RXFP1 (0.31) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050008974-A1 | Writable high-capacity optical storage media containing metal complexes | CIBA SPECIALTY CHEMICALS CORP. | 2005-01-13 | — | — | US | claimed |
| EP-1446800-A1 | WRITABLE HIGH-CAPACITY OPTICAL STORAGE MEDIA CONTAINING METAL COMPLEXES | Ciba SC Holding AG (CH) | 2004-08-18 | — | — | EP | claimed |
| WO-2003042990-A1 | WRITABLE HIGH-CAPACITY OPTICAL STORAGE MEDIA CONTAINING METAL COMPLEXES | CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) | 2003-05-22 | — | — | WO | claimed |
| US-20230159710-A1 | Two-Dimensional Coordination Polymer Based On Isocyano Coordination | SHANGHAI JIAO TONG UNIVERSITY (CN) | 2023-05-25 | — | — | US | disclosed |
| CN-114672033-A | Two-dimensional coordination polymer based on isocyano coordination | 上海交通大学 | 2022-06-28 | — | — | CN | disclosed |
| US-7754907-B2 | Allosterically catalyzed signal amplification in chemical and biological sensing | NORTHWESTERN UNIVERSITY (US) | 2010-07-13 | — | — | US | disclosed |
| US-20080213916-A1 | Allosterically Catalyzed Signal Amplification in Chemical and Biological Sensing | NORTHWESTERN UNIVERSITY (US) | 2008-09-04 | — | — | US | disclosed |
| EP-1446800-A1 | WRITABLE HIGH-CAPACITY OPTICAL STORAGE MEDIA CONTAINING METAL COMPLEXES | Ciba SC Holding AG (CH) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003042990-A1 | WRITABLE HIGH-CAPACITY OPTICAL STORAGE MEDIA CONTAINING METAL COMPLEXES | CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) | 2003-05-22 | — | — | WO | disclosed |