⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2555322 | 0.96 | — | — | |
| SCHEMBL38323 | 0.93 | — | — | |
| SCHEMBL2123373 | 0.93 | — | — | |
| SCHEMBL3420142 | 0.89 | — | — | |
| SCHEMBL580747 | 0.86 | — | — | |
| SCHEMBL944205 | 0.86 | — | — | |
| SCHEMBL332601 | 0.82 | — | — | |
| SCHEMBL1383553 | 0.82 | — | — | |
| SCHEMBL10351259 | 0.75 | — | — | |
| SCHEMBL8040334 | 0.72 | — | — |
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-8399667-B2 | 4-anilino quinazoline derivatives as antiproliferative agents | ASTRAZENECA AB (GB) | 2013-03-19 | — | — | US | disclosed |
| US-20130005727-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2013-01-03 | — | — | US | disclosed |
| US-7893062-B2 | Pyrrolidine derivatives as dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-02-22 | — | — | US | disclosed |
| EP-2148857-B1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTORS ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-07-28 | — | — | EP | disclosed |
| US-20100152442-A1 | 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | ASTRAZENECA AB | 2010-06-17 | — | — | US | disclosed |
| EP-2148857-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-02-03 | — | — | EP | disclosed |
| US-20080275021-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2008-11-06 | — | — | US | disclosed |
| WO-2008128891-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-30 | — | — | WO | disclosed |
| US-20080269487-A1 | 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | ASTRAZENECA AB | 2008-10-30 | — | — | US | disclosed |
| US-20050215574-A1 | 4-anilino quinazoline derivatives as antiproliferative agents | ASTRAZENECA AB (SE) | 2005-09-29 | — | — | US | disclosed |
| EP-1487806-A1 | 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | Astrazeneca AB (SE) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003082831-A1 | 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | ASTRAZENECA AB (SE) | 2003-10-09 | — | — | WO | disclosed |