⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1693053 | 0.91 | CYP1A2 (0.31) | — | |
| SCHEMBL1693036 | 0.90 | — | — | |
| SCHEMBL482045 | 0.90 | — | — | |
| SCHEMBL1693085 | 0.86 | APLNR (0.34) | — | |
| SCHEMBL962061 | 0.80 | THRB (0.40) | — | |
| SCHEMBL4121883 | 0.79 | CYP2D6 (0.40) | — | |
| SCHEMBL16936697 | 0.79 | — | — | |
| SCHEMBL2334924 | 0.79 | CYP2D6 (0.40) | — | |
| SCHEMBL1583500 | 0.78 | — | — | |
| SCHEMBL2146082 | 0.78 | — | — |
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-20110028492-A1 | Heteroaryl Compounds and Their Uses | NOVARTIS AG (CH) | 2011-02-03 | — | — | US | disclosed |
| US-20110015196-A1 | LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS | HETERO RESEARCH FOUNDATION (IN) | 2011-01-20 | — | — | US | disclosed |