⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10600274 | 1.00 | — | — | |
| SCHEMBL10600268 | 1.00 | — | — | |
| SCHEMBL11422139 | 0.83 | — | — | |
| SCHEMBL11422136 | 0.83 | — | — | |
| SCHEMBL4053109 | 0.81 | — | — | |
| SCHEMBL8743237 | 0.81 | — | — | |
| SCHEMBL8743229 | 0.81 | — | — | |
| SCHEMBL10689663 | 0.79 | FAAH (0.48) | — | |
| Undecane SCHEMBL9436372 | 0.79 | FAAH (0.48) | — | |
| SCHEMBL17965707 | 0.79 | FAAH (0.48) | — |
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-2009076454-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2009-06-18 | — | — | WO | disclosed |