⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10573398 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL11831221 | 0.64 | ACE (0.36) | — | |
| SCHEMBL3798872 | 0.64 | — | — | |
| SCHEMBL7042615 | 0.63 | KDM4E (0.30) | — | |
| SCHEMBL27629738 | 0.62 | — | — | |
| SCHEMBL4312216 | 0.61 | — | — | |
| SCHEMBL14740840 | 0.60 | CYP2C19 (0.31) | — | |
| SCHEMBL18359204 | 0.59 | CA2 (0.30) | — | |
| SCHEMBL7118503 | 0.59 | POLB (0.33) | — | |
| SCHEMBL297498 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005077377-A1 | COMPOSITIONS THAT INCLUDE A TRITERPENE AND A CARRIER | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2005-08-25 | — | — | WO | disclosed |
| WO-2004089357-A2 | ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2004-10-21 | — | — | WO | disclosed |