⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL47356 | 0.84 | ALDH1A1 (0.46) | — | |
| SCHEMBL67885 | 0.79 | ALDH1A1 (0.65) | — | |
| SCHEMBL47344 | 0.79 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5407882 | 0.77 | ALDH1A1 (0.62) | — | |
| SCHEMBL24687426 | 0.77 | ALDH1A1 (0.62) | — | |
| SCHEMBL13861685 | 0.77 | ALDH1A1 (0.79) | — | |
| SCHEMBL3149189 | 0.75 | ALDH1A1 (0.74) | — | |
| SCHEMBL865926 | 0.74 | — | — | |
| SCHEMBL865925 | 0.74 | — | — | |
| Trifluoroacetic Acid SCHEMBL21802924 | 0.74 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150105843-A1 | METAL COMPLEXES COMPRISING CONDENSED HETEROAROMATIC RINGS | UDC IRELAND LIMITED (IE) | 2015-04-16 | — | — | US | disclosed |