⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14065749 | 0.78 | — | — | |
| SCHEMBL110793 | 0.77 | — | — | |
| SCHEMBL20431812 | 0.77 | — | — | |
| SCHEMBL14155575 | 0.71 | — | — | |
| SCHEMBL19624127 | 0.71 | — | — | |
| SCHEMBL24113969 | 0.69 | — | — | |
| SCHEMBL13189269 | 0.69 | — | — | |
| SCHEMBL15599241 | 0.65 | TDP1 (0.32) | — | |
| SCHEMBL15172497 | 0.65 | — | — | |
| SCHEMBL13971118 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013181217-A2 | NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES | GALLEON PHARMACEUTICALS, INC. (US) | 2013-12-05 | — | — | WO | disclosed |