⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9336430 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL123127 | 0.71 | ALDH1A1 (0.47) | — | |
| Water SCHEMBL4753900 | 0.69 | ALDH1A1 (0.45) | — | |
| Iodide SCHEMBL2127044 | 0.69 | ALDH1A1 (0.45) | — | |
| Bromide SCHEMBL16332561 | 0.69 | ALDH1A1 (0.45) | — | |
| Bromide SCHEMBL7687601 | 0.69 | ALDH1A1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL2838012 | 0.69 | ALDH1A1 (0.45) | — | |
| SCHEMBL309527 | 0.69 | ALDH1A1 (0.45) | — | |
| Iodide SCHEMBL29666272 | 0.69 | ALDH1A1 (0.45) | — | |
| Hydrogen Sulfide SCHEMBL3121740 | 0.69 | ALDH1A1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11001850-B2 | Constructs and methods for biosynthesis of cyclopamine | DONALD DANFORTH PLANT SCIENCE CENTER (US) | 2021-05-11 | — | — | US | disclosed |
| US-20190185868-A1 | CONSTRUCTS AND METHODS FOR BIOSYNTHESIS OF CYCLOPAMINE | DONALD DANFORTH PLANT SCIENCE CENTER | 2019-06-20 | — | — | US | disclosed |
| WO-2015200831-A2 | CONSTRUCTS AND METHODS FOR BIOSYNTHESIS OF CYCLOPAMINE | DONALD DANFORTH PLANT SCIENCE CENTER (US) | 2015-12-30 | — | — | WO | disclosed |