⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193923 | 0.77 | — | — | |
| SCHEMBL477201 | 0.74 | — | — | |
| SCHEMBL945322 | 0.74 | — | — | |
| SCHEMBL3505790 | 0.74 | — | — | |
| SCHEMBL2279540 | 0.71 | — | — | |
| SCHEMBL1462392 | 0.71 | — | — | |
| SCHEMBL2202840 | 0.68 | — | — | |
| SCHEMBL946962 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL1461196 | 0.67 | — | — | |
| SCHEMBL1461220 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1377968-A2 | OPTICAL DATA CARRIER THAT CONTAINS A HETEROCYCLIC AZO DYE AS THE LIGHT-ABSORBING COMPOUND IN THE INFORMATION LAYER | Bayer Chemicals AG (DE) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002080152-A2 | OPTICAL DATA CARRIER THAT CONTAINS A HETEROCYCLIC AZO DYE AS THE LIGHT-ABSORBING COMPOUND IN THE INFORMATION LAYER | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-10 | — | — | WO | disclosed |