⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29616006 | 1.00 | — | — | |
| SCHEMBL167008 | 1.00 | — | — | |
| Phosphine SCHEMBL28305182 | 0.97 | HSD17B10 (0.36) | — | |
| Thiophene SCHEMBL14351352 | 0.89 | PDPK1 (0.33) | — | |
| Formamide SCHEMBL28266187 | 0.87 | HSD17B10 (0.34) | — | |
| SCHEMBL27861155 | 0.83 | NPC1 (0.30) | — | |
| Carbazole SCHEMBL27899203 | 0.79 | ALDH1A1 (0.48) | — | |
| Thiophene SCHEMBL27831515 | 0.78 | — | — | |
| SCHEMBL29683812 | 0.77 | — | — | |
| SCHEMBL17865293 | 0.71 | NTRK1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100305093-A1 | Inhibitors of mTOR and Methods of Making and Using | EXELIXIS, INC. (US) | 2010-12-02 | — | — | US | disclosed |