⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16821979 | 0.74 | ATM (0.45) | — | |
| Trifluoroacetic Acid SCHEMBL965196 | 0.74 | SLC1A2 (0.35) | — | |
| SCHEMBL15564317 | 0.70 | LMNA (0.41) | — | |
| SCHEMBL12914984 | 0.68 | CD81 (0.32) | — | |
| SCHEMBL15362631 | 0.68 | GABRR1 (0.39) | — | |
| SCHEMBL16822029 | 0.68 | GAA (0.31) | — | |
| SCHEMBL12914987 | 0.68 | CD81 (0.32) | — | |
| SCHEMBL2178920 | 0.68 | GABRR1 (0.39) | — | |
| SCHEMBL15655387 | 0.67 | OAT (0.31) | — | |
| Hydrochloric Acid SCHEMBL16669413 | 0.66 | SLC1A2 (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9067966-B2 | Lupeol-type triterpene derivatives as antivirals | HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) | 2015-06-30 | — | — | US | disclosed |
| EP-2454270-B1 | LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS | HETERO RESEARCH FOUNDATION (IN) | 2015-02-11 | — | — | EP | disclosed |
| EP-2454270-A2 | LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS | Hetero Research Foundation (IN) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011007230-A2 | LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS | HETERO RESEARCH FOUNDATION (IN) | 2011-01-20 | — | — | WO | disclosed |
| US-20110015196-A1 | LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS | HETERO RESEARCH FOUNDATION (IN) | 2011-01-20 | — | — | US | disclosed |