⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27773876 | 0.88 | NOS2 (0.46) | — | |
| SCHEMBL1578164 | 0.86 | PPARA (0.49) | — | |
| SCHEMBL9729101 | 0.84 | PPARA (0.51) | — | |
| SCHEMBL9728758 | 0.84 | PPARA (0.51) | — | |
| SCHEMBL9730031 | 0.84 | PPARA (0.51) | — | |
| SCHEMBL9728964 | 0.84 | PPARA (0.51) | — | |
| SCHEMBL9729219 | 0.84 | PPARA (0.51) | — | |
| SCHEMBL1099879 | 0.82 | — | — | |
| SCHEMBL11249223 | 0.77 | NOS2 (0.33) | — | |
| SCHEMBL7356165 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104903320-B | Nitrogen-containing heterocycle compound or its salt | 富士胶片株式会社 | 2018-11-13 | — | — | CN | disclosed |
| EP-2384320-B1 | PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INT (DE) | 2015-03-04 | — | — | EP | disclosed |
| EP-2384320-B1 | PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INT (DE) | 2015-03-04 | — | — | EP | disclosed |
| US-8629157-B2 | Pyrrolidine compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-14 | — | — | US | disclosed |
| US-20120142677-A1 | Pyrrolidine Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-07 | — | — | US | disclosed |