⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8356448 | 0.73 | — | — | |
| SCHEMBL7738633 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL7775536 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL7741585 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL2261116 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL7738662 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL258280 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL93481 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL288790 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL17474465 | 0.65 | — | — |
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-1599548-A1 | METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS | LANXESS Deutschland GmbH (DE) | 2005-11-30 | — | — | EP | disclosed |
| WO-2004072184-A1 | METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS | LANXESS DEUTSCHLAND GMBH (DE) | 2004-08-26 | — | — | WO | disclosed |