⚠ 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 SCHEMBL27082263 | 0.98 | MAPT (0.44) | — | |
| SCHEMBL3550338 | 0.77 | — | — | |
| SCHEMBL745140 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL3494569 | 0.76 | MAPT (0.53) | — | |
| SCHEMBL11713720 | 0.75 | MAPT (0.57) | — | |
| SCHEMBL640877 | 0.74 | MAPT (0.47) | — | |
| SCHEMBL12776487 | 0.74 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL640875 | 0.74 | RAB9A (0.48) | — | |
| SCHEMBL640876 | 0.74 | RAB9A (0.48) | — | |
| SCHEMBL1189897 | 0.73 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2731941-B1 | NOVEL AND SELECTIVE CCR2 ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2019-05-08 | — | — | EP | disclosed |
| US-9108958-B2 | Selective CCR2 antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-08-18 | — | — | US | disclosed |
| EP-2731941-A1 | NOVEL AND SELECTIVE CCR2 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2014-05-21 | — | — | EP | disclosed |
| WO-2013102431-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2013-07-11 | — | — | WO | disclosed |
| US-20130172348-A1 | NOVEL AND SELECTIVE CCR2 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-07-04 | — | — | US | disclosed |
| WO-2013010839-A1 | NOVEL AND SELECTIVE CCR2 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-24 | — | — | WO | disclosed |
| EP-1444225-A2 | PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. | Applied Research Systems ARS Holding N.V. (AN) | 2004-08-11 | — | — | EP | disclosed |
| WO-2002102799-A2 | PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2002-12-27 | — | — | WO | disclosed |