⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL241557 | 0.67 | — | — | |
| SCHEMBL2174851 | 0.67 | — | — | |
| SCHEMBL12720160 | 0.67 | — | — | |
| SCHEMBL6567632 | 0.65 | — | — | |
| SCHEMBL2294948 | 0.65 | — | — | |
| SCHEMBL30891535 | 0.65 | — | — | |
| SCHEMBL999830 | 0.64 | — | — | |
| SCHEMBL610015 | 0.63 | — | — | |
| SCHEMBL457053 | 0.63 | — | — | |
| SCHEMBL125137 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020004602-A1 | Asymmetric cycloaddition reactions | JACOBSEN ERIC N (US) | 2002-01-10 | — | — | US | claimed |
| US-6211370-B1 | REACTING A DIENOPHILE WITH A 1,3-DIENE | HARVARD UNIVERSITY | 2001-04-03 | — | — | US | claimed |
| US-6130340-A | CATALYST SELECTIVITY; DRUG CHEMICAL INTERMEDIATES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2000-10-10 | — | — | US | claimed |
| WO-1999036375-A1 | ASYMMETRIC CYCLOADDITION REACTIONS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1999-07-22 | — | — | WO | claimed |