⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29539705 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL5347840 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL679081 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL9898232 | 0.86 | MEN1 (0.39) | — | |
| SCHEMBL10021911 | 0.86 | MAPT (0.32) | — | |
| SCHEMBL13957190 | 0.85 | — | — | |
| SCHEMBL6018281 | 0.85 | ALDH1A1 (0.36) | — | |
| SCHEMBL13228978 | 0.83 | — | — | |
| SCHEMBL5502649 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL20233492 | 0.82 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120100628-A1 | EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS | NDSU RESEARCH FOUNDATION (US) | 2012-04-26 | — | — | US | disclosed |