⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4485360 | 1.00 | — | — | |
| SCHEMBL514698 | 0.92 | — | — | |
| SCHEMBL4898301 | 0.92 | — | — | |
| SCHEMBL514699 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL28324454 | 0.90 | — | — | |
| SCHEMBL17203423 | 0.83 | — | — | |
| SCHEMBL4743643 | 0.74 | — | — | |
| SCHEMBL2707394 | 0.74 | — | — | |
| SCHEMBL95320 | 0.74 | — | — | |
| SCHEMBL236882 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120004252-A1 | NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-05 | — | — | US | disclosed |
| WO-2011073155-A1 | NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-23 | — | — | WO | disclosed |