⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6434593 | 1.00 | — | — | |
| SCHEMBL8993490 | 0.85 | FFAR2 (0.35) | — | |
| SCHEMBL8993485 | 0.85 | FFAR2 (0.35) | — | |
| SCHEMBL9116402 | 0.85 | FFAR2 (0.35) | — | |
| SCHEMBL7712823 | 0.85 | ACP3 (0.34) | — | |
| SCHEMBL4542209 | 0.85 | ACP3 (0.34) | — | |
| SCHEMBL15229025 | 0.81 | MDM2 (0.36) | — | |
| SCHEMBL12497813 | 0.80 | SLC6A3 (0.33) | — | |
| SCHEMBL12497693 | 0.77 | APLNR (0.34) | — | |
| SCHEMBL8402080 | 0.77 | ATM (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1087943-B1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LTD (GB) | 2005-08-17 | — | — | EP | disclosed |
| US-6251925-B1 | AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR | GLAXO WELLCOME INC. | 2001-06-26 | — | — | US | disclosed |
| EP-1087943-A1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2001-04-04 | — | — | EP | disclosed |
| WO-1999065877-A1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1999-12-23 | — | — | WO | disclosed |