⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL15387390 | 0.78 | TSHR (0.50) | — | |
| Bicarbonate SCHEMBL9052387 | 0.78 | — | — | |
| SCHEMBL13844836 | 0.77 | EPHX2 (0.40) | — | |
| SCHEMBL13947106 | 0.77 | EPHX2 (0.40) | — | |
| SCHEMBL8611 | 0.76 | — | — | |
| Bicarbonate SCHEMBL28327095 | 0.75 | EPHX2 (0.50) | — | |
| SCHEMBL21496381 | 0.73 | SERPINE1 (0.33) | — | |
| SCHEMBL10543208 | 0.72 | — | — | |
| Cyclobutanol SCHEMBL11322432 | 0.72 | — | — | |
| SCHEMBL20519604 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2808324-A1 | PYRROLE COMPOUND | Kabushiki Kaisha Yakult Honsha (JP) | 2014-12-03 | — | — | EP | disclosed |
| US-20140343017-A1 | PYRROLE COMPOUND | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2014-11-20 | — | — | US | disclosed |
| EP-1670768-B1 | COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA | LILLY CO ELI (US) | 2009-09-09 | — | — | EP | disclosed |