⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16804664 | 0.78 | — | — | |
| SCHEMBL14556036 | 0.78 | MEN1 (0.38) | — | |
| SCHEMBL2612739 | 0.70 | RAB9A (0.42) | — | |
| SCHEMBL15600814 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL27324959 | 0.69 | RAB9A (0.46) | — | |
| SCHEMBL27324722 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL2387687 | 0.67 | MEN1 (0.35) | — | |
| SCHEMBL13608823 | 0.65 | CHRM2 (0.46) | — | |
| SCHEMBL28220323 | 0.65 | — | — | |
| SCHEMBL13403844 | 0.65 | LMNA (0.30) | — |
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-20150166591-A1 | METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES | ARIAD PHARMACEUTICALS, INC. | 2015-06-18 | — | — | US | disclosed |