⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1505731 | 0.70 | — | — | |
| SCHEMBL11833798 | 0.70 | — | — | |
| SCHEMBL11765692 | 0.70 | — | — | |
| SCHEMBL31655515 | 0.67 | — | — | |
| SCHEMBL15152093 | 0.67 | — | — | |
| SCHEMBL9175735 | 0.67 | — | — | |
| Guanidine SCHEMBL5613752 | 0.65 | — | — | |
| Guanidine SCHEMBL165720 | 0.65 | NOS2 (0.42) | — | |
| Guanidine SCHEMBL2003 | 0.65 | — | — | |
| Guanidine SCHEMBL11330173 | 0.65 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030181498-A1 | Bicyclic heteroaryl compounds as inhibitors of the interaction between the integrin alpha4beta1 receptor and vcam-1 and/or fibronectin | ASTRAZENECA AB (SE) | 2003-09-25 | — | — | US | disclosed |
| EP-1272487-A1 | BICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF THE INTERACTION BETWEEN THE INTEGRIN ALPHA4BETA1 RECEPTOR AND VCAM-1 AND/OR FIBRONECTIN | AstraZeneca AB (SE) | 2003-01-08 | — | — | EP | disclosed |
| WO-2002086096-A2 | METHODS OF PRODUCING OR IDENTIFYING INTRABODIES IN EUKARYOTIC CELLS | UNIVERSITY OF ROCHESTER MEDICAL CENTER (US) | 2002-10-31 | — | — | WO | disclosed |
| EP-1133484-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | AstraZeneca AB (SE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2001053295-A1 | BICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF THE INTERACTION BETWEEN THE INTEGRIN ALPHA4BETA1 RECEPTOR AND VCAM-1 AND/OR FIBRONECTIN | ASTRAZENECA AB (SE) | 2001-07-26 | — | — | WO | disclosed |
| US-6046175-A | COMPOSITION CONTAINING HYDROXYUREA AND DIDEOXYINOSINE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-04-04 | — | — | US | disclosed |
| WO-2000005223-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | ASTRAZENECA AB (SE) | 2000-02-03 | — | — | WO | disclosed |