⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10807419 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL4515305 | 0.75 | — | — | |
| SCHEMBL6177558 | 0.75 | CYP2C19 (0.35) | — | |
| SCHEMBL680024 | 0.74 | — | — | |
| SCHEMBL12345660 | 0.74 | — | — | |
| SCHEMBL320682 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL28334429 | 0.72 | CA1 (0.48) | — | |
| SCHEMBL28334428 | 0.72 | ALDH1A1 (0.39) | — | |
| Potassium Ion SCHEMBL30996062 | 0.72 | CA12 (0.52) | — | |
| SCHEMBL697625 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230357302-A1 | TRITERPENE SAPONIN VARIANTS, METHODS OF SYNTHESIS AND USE THEREOF | MEMORIAL SLOAN-KETTERING CANCER CENTER | 2023-11-09 | — | — | US | disclosed |
| US-11629162-B2 | Triterpene saponin variants, methods of synthesis and use thereof | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2023-04-18 | — | — | US | disclosed |
| EP-3389669-B1 | TRITERPENE SAPONIN VARIANTS, METHODS OF SYNTHESIS AND USE THEREOF | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2023-03-15 | — | — | EP | disclosed |