⚠ 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 | |
|---|---|---|---|---|
| Carbon Monoxide SCHEMBL9902674 | 0.73 | — | — | |
| Carbon Monoxide SCHEMBL9902485 | 0.73 | — | — | |
| SCHEMBL6280178 | 0.67 | — | — | |
| SCHEMBL5698362 | 0.62 | — | — | |
| SCHEMBL19702765 | 0.62 | — | — | |
| SCHEMBL9946112 | 0.62 | — | — | |
| SCHEMBL6235737 | 0.62 | — | — | |
| SCHEMBL23616022 | 0.60 | — | — | |
| SCHEMBL16328320 | 0.60 | TRIM24 (0.38) | — | |
| SCHEMBL12634171 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012076696-A1 | NEW METAL CARBONYL COMPLEXES OF CURCUMIN DERIVATIVES, THEIR SYNTHESIS AND THEIR USES IN THERAPEUTIC APPLICATION | UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) | 2012-06-14 | — | — | WO | disclosed |