⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170941 | 1.00 | — | — | |
| SCHEMBL348076 | 1.00 | SMN1; SMN2 (0.41) | — | |
| Hydrochloric Acid SCHEMBL27734259 | 0.97 | SMN1; SMN2 (0.44) | — | |
| Bromide SCHEMBL23499956 | 0.97 | SMN1; SMN2 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL16146085 | 0.97 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL21150247 | 0.97 | — | — | |
| SCHEMBL77786 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL989800 | 0.94 | — | — | |
| SCHEMBL5746901 | 0.90 | — | — | |
| Acetonitrile SCHEMBL4288175 | 0.87 | ALDH1A1 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1374234-A1 | OPTICAL DATA SUPPORT COMPRISING A HEMICYANIN DYE IN THE INFORMATION LAYER AS LIGHT-ABSORBING COMPOUND | Bayer Chemicals AG (DE) | 2004-01-02 | — | — | EP | claimed |
| US-20030054291-A1 | Optical data storage medium containing a hemicyanine dye as the light-absorbing compound in the information layer | LANXESS DEUTSCHLAND GMBH (DE) | 2003-03-20 | — | — | US | claimed |
| WO-2002086879-A1 | OPTICAL DATA SUPPORT COMPRISING A HEMICYANIN DYE IN THE INFORMATION LAYER AS LIGHT-ABSORBING COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-31 | — | — | WO | claimed |
| WO-2003059999-A2 | EPOXY RESIN COMPONENT CONTAINING A CATIONIC METHINE DYE | BAYER AKTIENGESELLSCHAFT (DE) | 2003-07-24 | — | — | WO | disclosed |
| US-20030054291-A1 | Optical data storage medium containing a hemicyanine dye as the light-absorbing compound in the information layer | LANXESS DEUTSCHLAND GMBH (DE) | 2003-03-20 | — | — | US | disclosed |