⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16359908 | 0.97 | — | — | |
| SCHEMBL40004 | 0.97 | — | — | |
| SCHEMBL28174189 | 0.94 | — | — | |
| SCHEMBL756509 | 0.88 | — | — | |
| SCHEMBL12295827 | 0.88 | — | — | |
| SCHEMBL8979967 | 0.85 | GSR (0.48) | — | |
| SCHEMBL16351273 | 0.85 | — | — | |
| SCHEMBL755110 | 0.85 | — | — | |
| SCHEMBL8979991 | 0.85 | GSR (0.48) | — | |
| Hydrochloric Acid SCHEMBL7610353 | 0.82 | GSR (0.46) | — |
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-5665679-A | COPPER-ETHYLENEDIAMINE COMPLEX | GRIFFIN CORPORATION (US) | 1997-09-09 | — | — | US | disclosed |