⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31051471 | 0.78 | — | — | |
| SCHEMBL28153591 | 0.76 | MEN1 (0.40) | — | |
| Methylene Chloride SCHEMBL27947432 | 0.71 | MEN1 (0.38) | — | |
| SCHEMBL6128470 | 0.67 | — | — | |
| SCHEMBL858924 | 0.67 | — | — | |
| SCHEMBL18952494 | 0.67 | — | — | |
| Acetaldehyde SCHEMBL28232456 | 0.65 | NPC1 (0.35) | — | |
| Isopropyl Alcohol SCHEMBL28207243 | 0.65 | NPC1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL11901592 | 0.65 | — | — | |
| SCHEMBL31426921 | 0.63 | NPC1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150038516-A1 | Inhibitors of Protein Kinases | ASTRAZENECA AB (SE) | 2015-02-05 | — | — | US | disclosed |
| US-8716296-B2 | Inhibitors of protein kinases | INGENIUM PHARMACEUTICALS GMBH (DE) | 2014-05-06 | — | — | US | disclosed |
| EP-2212297-B1 | INHIBITORS OF PROTEIN KINASES | INGENIUM PHARMACEUTICALS GMBH (DE) | 2011-05-25 | — | — | EP | disclosed |
| US-20100249149-A1 | Inhibitors of Protein Kinases | ASTRAZENECA AB (SE) | 2010-09-30 | — | — | US | disclosed |