⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4411570 | 0.79 | — | — | |
| SCHEMBL11127384 | 0.71 | — | — | |
| SCHEMBL726801 | 0.69 | — | — | |
| Bromide SCHEMBL18613919 | 0.69 | — | — | |
| SCHEMBL7328921 | 0.69 | — | — | |
| SCHEMBL11042700 | 0.69 | — | — | |
| SCHEMBL31686419 | 0.69 | — | — | |
| SCHEMBL7513080 | 0.64 | — | — | |
| SCHEMBL8050370 | 0.64 | — | — | |
| SCHEMBL20589156 | 0.64 | MASP2 (0.38) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7138417-B2 | Inhibitors of integrin αvβ6 | MERCK PATENT GMBH (DE) | 2006-11-21 | — | — | US | claimed |
| EP-0830136-B1 | NEW CRYPTOPHYCINS FROM SYNTHESIS | UNIV HAWAII (US) | 2004-10-20 | — | — | EP | claimed |
| US-6645991-B1 | Glycoprotein adhesion receptor antagonists such as 3-phenyl-4-(4-(3-(pyridin-2-ylamino)propoxy)phenyl)-butyric acid, used for prophylaxis of tumors, osteoporosis, cardiovascular diseases, fibrosis, inflammation, infections or psoriasis | MERCK PATENT GMBH (DE) | 2003-11-11 | — | — | US | claimed |
| EP-1472224-B1 | 3-ALKANOYLAMINO-PROPIONIC ACID DERIVATIVES USED AS INHIBITORS OF INTEGRIN AVSS6 | MERCK PATENT GMBH (DE) | 2012-07-11 | — | — | EP | disclosed |
| US-7632951-B2 | Inhibitors of integrin ανβ6 | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2009-12-15 | — | — | US | disclosed |
| US-7138417-B2 | Inhibitors of integrin αvβ6 | MERCK PATENT GMBH (DE) | 2006-11-21 | — | — | US | disclosed |
| US-20050153902-A1 | Inhibitors of integrin avb6 | MERCK PATENT GMBH (DE) | 2005-07-14 | — | — | US | disclosed |
| EP-1472224-A2 | 3-ALKANOYLAMINO-PROPIONIC ACID DERIVATIVES USED AS INHIBITORS OF INTEGRIN AVSS6 | MERCK PATENT GmbH (DE) | 2004-11-03 | — | — | EP | disclosed |
| US-20040092454-A1 | Inhibitors of integrin alphavbeta6 | MERCK PATENT GMBH (DE) | 2004-05-13 | — | — | US | disclosed |
| EP-1377540-A1 | INHIBITORS OF INTEGRIN AvB6 | MERCK PATENT GmbH (DE) | 2004-01-07 | — | — | EP | disclosed |
| US-6645991-B1 | Glycoprotein adhesion receptor antagonists such as 3-phenyl-4-(4-(3-(pyridin-2-ylamino)propoxy)phenyl)-butyric acid, used for prophylaxis of tumors, osteoporosis, cardiovascular diseases, fibrosis, inflammation, infections or psoriasis | MERCK PATENT GMBH (DE) | 2003-11-11 | — | — | US | disclosed |
| WO-2003066594-A2 | 3-ALKANOYLAMINO-PROPIONIC ACID DERIVATIVES USED AS INHIBITORS OF INTEGRIN AVSS6 | MERCK PATENT GMBH (DE) | 2003-08-14 | — | — | WO | disclosed |
| WO-2002074730-A1 | INHIBITORS OF INTEGRIN αvβ¿6? | MERCK PATENT GMBH (DE) | 2002-09-26 | — | — | WO | disclosed |
| EP-1206454-A1 | NOVEL INTEGRIN ALPHAvBETA3 INHIBITORS | MERCK PATENT GmbH (DE) | 2002-05-22 | — | — | EP | disclosed |
| EP-1206455-A1 | ALPHAvBETA3 INTEGRIN INHIBITORS | MERCK PATENT GmbH (DE) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001014337-A1 | αvβ3 INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2001-03-01 | — | — | WO | disclosed |
| WO-2001014338-A1 | NOVEL INTEGRIN αVβ3 INHIBITORS | MERCK PATENT GMBH (DE) | 2001-03-01 | — | — | WO | disclosed |