⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18166977 | 0.75 | GPR119 (0.36) | — | |
| SCHEMBL4594409 | 0.75 | — | — | |
| SCHEMBL4219083 | 0.74 | — | — | |
| SCHEMBL309605 | 0.69 | — | — | |
| SCHEMBL24134623 | 0.69 | — | — | |
| SCHEMBL59551 | 0.67 | — | — | |
| SCHEMBL336898 | 0.67 | — | — | |
| SCHEMBL18166960 | 0.67 | — | — | |
| SCHEMBL18166961 | 0.67 | — | — | |
| Water SCHEMBL9407658 | 0.65 | SMN1; SMN2 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100029620-A1 | SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE | JANSSEN PHARMACEUTICA N.V. | 2010-02-04 | — | — | US | disclosed |
| CN-101304986-A | Regioselective process for preparing benzimidazole thiophenes | SMITHKLINE BEECHAM CORP (US) | 2008-11-12 | — | — | CN | disclosed |
| CN-101084201-A | Triazolone, tetrazolone and imidazolone derivatives for use as alpha-2c adrenoreceptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2007-12-05 | — | — | CN | disclosed |
| EP-1831185-A1 | TRIAZOLONE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS ALPHA-2C ADRENORECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006067139-A1 | TRIAZOLONE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS ALPHA-2C ADRENORECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-06-29 | — | — | WO | disclosed |