⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27421499 | 0.81 | — | — | |
| SCHEMBL14791579 | 0.72 | — | — | |
| SCHEMBL22267855 | 0.69 | — | — | |
| SCHEMBL6903638 | 0.67 | — | — | |
| SCHEMBL15692448 | 0.67 | MEN1 (0.34) | — | |
| SCHEMBL25706027 | 0.67 | MEN1 (0.34) | — | |
| SCHEMBL18921038 | 0.66 | HSD11B1 (0.35) | — | |
| SCHEMBL19257654 | 0.64 | HSD11B1 (0.34) | — | |
| SCHEMBL17263783 | 0.64 | — | — | |
| SCHEMBL15222059 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017134547-A1 | TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION | PFIZER INC. (US) | 2017-08-10 | — | — | WO | disclosed |
| WO-2017098328-A2 | THERAPEUTIC INHIBITORY COMPOUNDS | LIFESCI PHAMACEUTICALS, INC. (BB) | 2017-06-15 | — | — | WO | disclosed |
| US-7253169-B2 | Aza compounds, pharmaceutical compositions and methods of use | GLIAMED, INC. (US) | 2007-08-07 | — | — | US | disclosed |