⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15740679 | 0.84 | — | — | |
| SCHEMBL21851213 | 0.80 | — | — | |
| SCHEMBL22757277 | 0.76 | — | — | |
| SCHEMBL16343715 | 0.73 | — | — | |
| SCHEMBL16295878 | 0.73 | — | — | |
| SCHEMBL28458591 | 0.73 | — | — | |
| SCHEMBL3284269 | 0.69 | — | — | |
| SCHEMBL2012503 | 0.69 | — | — | |
| SCHEMBL2012508 | 0.69 | — | — | |
| SCHEMBL4662119 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2217565-B1 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INT (DE) | 2013-05-22 | — | — | EP | disclosed |