⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12659542 | 0.71 | BRD4 (0.36) | — | |
| SCHEMBL6902629 | 0.71 | — | — | |
| SCHEMBL12659553 | 0.70 | BRD4 (0.35) | — | |
| SCHEMBL11401869 | 0.67 | — | — | |
| SCHEMBL12217560 | 0.64 | CREBBP (0.42) | — | |
| SCHEMBL12595033 | 0.61 | CDK1 (0.36) | — | |
| SCHEMBL22572505 | 0.61 | PTGS2 (0.32) | — | |
| SCHEMBL439074 | 0.59 | PTGS2 (0.48) | — | |
| SCHEMBL28806252 | 0.59 | PTGS2 (0.48) | — | |
| SCHEMBL18698293 | 0.59 | GPR84 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110178101-A1 | DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP, LLC | 2011-07-21 | — | — | US | disclosed |