⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL325221 | 0.71 | — | — | |
| SCHEMBL6832374 | 0.71 | — | — | |
| SCHEMBL8537 | 0.66 | — | — | |
| SCHEMBL5484725 | 0.64 | — | — | |
| SCHEMBL14481097 | 0.61 | — | — | |
| SCHEMBL5125096 | 0.58 | — | — | |
| SCHEMBL18220944 | 0.58 | — | — | |
| SCHEMBL337603 | 0.55 | — | — | |
| SCHEMBL10039304 | 0.55 | — | — | |
| SCHEMBL2161449 | 0.55 | — | — |
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-20100098788-A1 | Extracts of Curcuma and Methods of Use Thereof | HERBALSCIENCE GROUP, LLC | 2010-04-22 | — | — | US | disclosed |