⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30870528 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL17265813 | 0.62 | ALDH1A1 (0.60) | — | |
| SCHEMBL6541956 | 0.60 | — | — | |
| SCHEMBL378443 | 0.59 | — | — | |
| SCHEMBL3934342 | 0.59 | — | — | |
| SCHEMBL857672 | 0.58 | — | — | |
| SCHEMBL29870750 | 0.58 | ALDH1A1 (0.44) | — | |
| SCHEMBL29596196 | 0.58 | ALDH1A1 (0.44) | — | |
| SCHEMBL1292862 | 0.57 | — | — | |
| SCHEMBL16878164 | 0.57 | — | — |
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-20100305093-A1 | Inhibitors of mTOR and Methods of Making and Using | EXELIXIS, INC. (US) | 2010-12-02 | — | — | US | disclosed |
| WO-2008139941-A1 | SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-20 | — | — | WO | disclosed |