⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3770074 | 0.82 | CYP4F2 (0.34) | — | |
| SCHEMBL3777121 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL3777829 | 0.64 | CA12 (0.35) | — | |
| SCHEMBL1619351 | 0.64 | TSHR (0.38) | — | |
| SCHEMBL9645782 | 0.63 | — | — | |
| SCHEMBL19312138 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL3779380 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL10714767 | 0.60 | ALDH1A1 (0.44) | — | |
| Acetic Acid SCHEMBL27501735 | 0.59 | ALDH1A1 (0.39) | — | |
| SCHEMBL1620945 | 0.59 | NOS2 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8546563-B2 | Compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-10-01 | — | — | US | disclosed |
| EP-2217565-B1 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INT (DE) | 2013-05-22 | — | — | EP | disclosed |
| US-20100331304-A1 | Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-30 | — | — | US | disclosed |