⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4037 | 0.73 | — | — | |
| SCHEMBL28379122 | 0.70 | — | — | |
| SCHEMBL28762947 | 0.70 | — | — | |
| SCHEMBL29237028 | 0.70 | — | — | |
| SCHEMBL143892 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL10505006 | 0.65 | HDAC4 (0.38) | — | |
| SCHEMBL135028 | 0.65 | — | — | |
| SCHEMBL1618609 | 0.65 | — | — | |
| SCHEMBL5668038 | 0.65 | CA4 (0.35) | — | |
| SCHEMBL19331457 | 0.62 | — | — |
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-20070042498-A1 | Method for assaying tropolone comprising complexing this molecule with cu (II) | LONZA BIOLOGICS PLC. (GB) | 2007-02-22 | — | — | US | disclosed |