⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12141649 | 1.00 | — | — | |
| SCHEMBL16659921 | 1.00 | — | — | |
| SCHEMBL5158354 | 1.00 | — | — | |
| Acetic Acid SCHEMBL16652325 | 0.90 | HSD11B1 (0.32) | — | |
| Acetic Acid SCHEMBL16652322 | 0.90 | HSD11B1 (0.32) | — | |
| SCHEMBL2896873 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL2902386 | 0.76 | — | — | |
| SCHEMBL17786319 | 0.76 | — | — | |
| SCHEMBL25164909 | 0.75 | — | — | |
| SCHEMBL16926354 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7592358-B2 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-09-22 | — | — | US | disclosed |
| US-7592358-B2 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-09-22 | — | — | US | disclosed |
| US-7592358-B2 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-09-22 | — | — | US | disclosed |
| EP-1742939-A2 | NOVEL ALKYNE COMPOUNDS EXHIBITING AN MCH ANTAGONISTIC EFFECT AND DRUGS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-17 | — | — | EP | disclosed |
| EP-1740572-A1 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-10 | — | — | EP | disclosed |
| EP-1737823-A2 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2007-01-03 | — | — | EP | disclosed |
| US-20050267120-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-12-01 | — | — | US | disclosed |
| WO-2005103031-A1 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |
| WO-2005103002-A2 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |
| US-20050239826-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-27 | — | — | US | disclosed |
| WO-2005100285-A2 | NOVEL ALKYNE COMPOUNDS EXHIBITING AN MCH ANTAGONISTIC EFFECT AND DRUGS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-27 | — | — | WO | disclosed |
| US-20050234101-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-20 | — | — | US | disclosed |