⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11369765 | 0.78 | HTT (0.35) | — | |
| SCHEMBL3843811 | 0.75 | — | — | |
| SCHEMBL165457 | 0.75 | — | — | |
| SCHEMBL159468 | 0.75 | — | — | |
| Bicarbonate SCHEMBL38663747 | 0.73 | TSHR (0.41) | — | |
| Hydrochloric Acid SCHEMBL433138 | 0.73 | — | — | |
| SCHEMBL10798775 | 0.73 | — | — | |
| SCHEMBL434249 | 0.73 | — | — | |
| SCHEMBL11362843 | 0.73 | — | — | |
| SCHEMBL7705510 | 0.73 | HTT (0.33) | — |
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-109928967-A | A kind of cyclisation berberinc derivate and its preparation method and application | 中国医学科学院医药生物技术研究所 | 2019-06-25 | — | — | CN | disclosed |
| EP-2004667-B1 | NOVEL 11 BETA - HYDROXYANDROSTA-4-ENE-3-ONES | SUN PHARMA ADVANCED RES CO LTD (IN) | 2013-09-04 | — | — | EP | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |