⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL440376 | 0.87 | THRB (0.40) | — | |
| SCHEMBL27496194 | 0.86 | THRB (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL7956004 | 0.84 | THRB (0.38) | — | |
| SCHEMBL3398820 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL1955476 | 0.81 | — | — | |
| SCHEMBL14544838 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL29044556 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL69038 | 0.79 | — | — | |
| SCHEMBL6380132 | 0.79 | — | — | |
| SCHEMBL9547502 | 0.78 | ALDH1A1 (0.40) | — |
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-1323160-A1 | OPTICAL DATA CARRIER CONTAINING A PHTHALOCYANINE COLOURING AGENT AS A LIGHT ABSORBING COMPOUND IN THE INFORMATION LAYER | Bayer Aktiengesellschaft (DE) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002025648-A1 | OPTICAL DATA CARRIER CONTAINING A PHTHALOCYANINE COLOURING AGENT AS A LIGHT ABSORBING COMPOUND IN THE INFORMATION LAYER | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-28 | — | — | WO | disclosed |