⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28554282 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL29210831 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL154030 | 0.73 | CA4 (0.46) | — | |
| SCHEMBL17606656 | 0.73 | CA4 (0.46) | — | |
| Phosphoric Acid SCHEMBL1654582 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL6712672 | 0.67 | — | — | |
| SCHEMBL2584461 | 0.67 | — | — | |
| SCHEMBL432847 | 0.66 | — | — | |
| SCHEMBL6056076 | 0.66 | — | — | |
| SCHEMBL306388 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040106808-A1 | Processes for preparing calanolide a and intermediates thereof | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 2004-06-03 | — | — | US | disclosed |
| EP-1352907-A1 | PROCESSES FOR PREPARING CALANOLIDE A AND INTERMEDIATES THEREOF | KURARAY CO., LTD. (JP) | 2003-10-15 | — | — | EP | disclosed |