⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL67632 | 0.65 | — | — | |
| SCHEMBL4179725 | 0.59 | — | — | |
| SCHEMBL19193706 | 0.56 | — | — | |
| SCHEMBL19558351 | 0.56 | — | — | |
| SCHEMBL18677112 | 0.56 | — | — | |
| SCHEMBL12703368 | 0.55 | — | — | |
| SCHEMBL1382590 | 0.50 | — | — | |
| SCHEMBL2384 | 0.49 | — | — | |
| SCHEMBL11139 | 0.48 | — | — | |
| SCHEMBL1652442 | 0.47 | — | — |
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-7709479-B1 | Quinazoline derivatives and their use as pharmaceuticals | ASTRAZENECA (SE) | 2010-05-04 | — | — | US | disclosed |
| US-6951948-B2 | Method for synthesis of substituted azole libraries | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-10-04 | — | — | US | disclosed |
| US-6683191-B2 | PREPARING A AZOLE COMPOUND ON A SOLID SUPPORT RESIN, CLEAVING THE COMPOUND FROM THE SOLID SUPPORT RESIN BY NUCLEOPHILIC SUBSTITUTION TO FURTHER SUBSTITUTING BY ALKYLATION REACTION | ORTHO-MCNEIL PHARMACEUTICALS, INC. | 2004-01-27 | — | — | US | disclosed |
| US-20020077483-A1 | Method for synthesis of substituted azole libraries | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-06-20 | — | — | US | disclosed |
| US-20020042520-A1 | Method for synthesis of substituted azole libraries | ORTHO-MCNEIL PHARMACEUTICALS, INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2001094318-A2 | METHOD FOR SYNTHESIS OF SUBSTITUTED AZOLE LIBRARIES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-12-13 | — | — | WO | disclosed |
| WO-2001094317-A2 | METHOD FOR SYNTHESIS OF SUBSTITUTED AZOLE LIBRARIES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-12-13 | — | — | WO | disclosed |