⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2319925 | 0.86 | — | — | |
| SCHEMBL31734261 | 0.83 | RAB9A (0.36) | — | |
| SCHEMBL10298224 | 0.74 | — | — | |
| SCHEMBL6330683 | 0.74 | PDK1 (0.32) | — | |
| SCHEMBL4957978 | 0.73 | — | — | |
| SCHEMBL1489209 | 0.73 | — | — | |
| SCHEMBL88222 | 0.73 | — | — | |
| SCHEMBL299619 | 0.72 | — | — | |
| SCHEMBL11227770 | 0.72 | ADRA1D (0.33) | — | |
| SCHEMBL1081392 | 0.71 | HRH3 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1086098-B1 | THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS | AVENTIS PHARMA GMBH (DE) | 2006-04-05 | — | — | EP | disclosed |
| US-6660728-B2 | Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2003-12-09 | — | — | US | disclosed |
| US-20030153557-A1 | Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists | AVENTIS PHARMA DEUTSCHLAND GMBH AND GENENTECH, INC. | 2003-08-14 | — | — | US | disclosed |
| EP-1086098-A1 | THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS | Aventis Pharma Deutschland GmbH (DE) | 2001-03-28 | — | — | EP | disclosed |
| EP-0960882-A1 | Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists | Hoechst Marion Roussel Deutschland GmbH (DE) | 1999-12-01 | — | — | EP | disclosed |
| WO-1999059992-A1 | THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 1999-11-25 | — | — | WO | disclosed |