⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9525874 | 0.97 | — | — | |
| SCHEMBL6513587 | 0.88 | — | — | |
| SCHEMBL5868684 | 0.84 | — | — | |
| SCHEMBL5729358 | 0.81 | — | — | |
| SCHEMBL2575293 | 0.76 | — | — | |
| SCHEMBL5465961 | 0.72 | — | — | |
| SCHEMBL2125849 | 0.71 | — | — | |
| SCHEMBL78337 | 0.69 | MGLL (0.33) | — | |
| SCHEMBL515359 | 0.69 | MGLL (0.33) | — | |
| SCHEMBL3658220 | 0.65 | MGLL (0.40) | — |
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-111065626-A | Compounds for the treatment of huntington's chorea | PTC医疗公司 | 2020-04-24 | — | — | CN | disclosed |
| US-8653262-B2 | CCR2 receptor antagonists and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-18 | — | — | US | disclosed |
| US-20100204209-A1 | CCR2 Receptor Antagonists and Uses Thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-08-12 | — | — | US | disclosed |
| EP-2155689-A2 | CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF | Boehringer Ingelheim International GmbH (DE) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008145681-A2 | CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-12-04 | — | — | WO | disclosed |