⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2002432 | 0.91 | CYP2C19 (0.32) | — | |
| SCHEMBL11825332 | 0.91 | CYP2C19 (0.32) | — | |
| SCHEMBL1880025 | 0.87 | — | — | |
| SCHEMBL243671 | 0.75 | — | — | |
| Bromide SCHEMBL11813561 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL11815237 | 0.73 | — | — | |
| SCHEMBL11813553 | 0.73 | — | — | |
| SCHEMBL627729 | 0.71 | — | — | |
| SCHEMBL809128 | 0.71 | — | — | |
| SCHEMBL1033587 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112047917-A | Xanthohumol derivative and preparation method and application thereof | 中国科学院新疆理化技术研究所 | 2020-12-08 | — | — | CN | claimed |
| CN-112047917-A | Xanthohumol derivative and preparation method and application thereof | 中国科学院新疆理化技术研究所 | 2020-12-08 | — | — | CN | disclosed |
| US-3954730-A | ANTIBIOTICS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-04 | — | — | US | disclosed |