⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL906813 | 0.83 | — | — | |
| SCHEMBL2344865 | 0.83 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL27906395 | 0.81 | — | — | |
| SCHEMBL27260533 | 0.80 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL7874809 | 0.79 | — | — | |
| SCHEMBL22751568 | 0.79 | METAP2 (0.46) | — | |
| SCHEMBL11074691 | 0.79 | — | — | |
| SCHEMBL22956022 | 0.79 | — | — | |
| SCHEMBL13035444 | 0.79 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL11189746 | 0.79 | METAP2 (0.46) | — |
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 |
| US-4165384-A | ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS | AKTIEBOLAGET HASSLE (SE) | 1979-08-21 | — | — | US | disclosed |