⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3262436 | 0.79 | — | — | |
| SCHEMBL3070030 | 0.72 | — | — | |
| SCHEMBL3079956 | 0.72 | — | — | |
| SCHEMBL26546183 | 0.72 | EPHX2 (0.53) | — | |
| SCHEMBL5462458 | 0.71 | — | — | |
| SCHEMBL1259566 | 0.71 | — | — | |
| SCHEMBL3073132 | 0.71 | — | — | |
| SCHEMBL3080333 | 0.71 | — | — | |
| SCHEMBL18072257 | 0.71 | — | — | |
| SCHEMBL3082439 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023196975-A1 | COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | SHY THERAPEUTICS, LLC (US) | 2023-10-12 | — | — | WO | disclosed |
| US-20090018150-A1 | 5-Ht2b Receptor Antagonists | ASTERAND UK LIMITED (GB) | 2009-01-15 | — | — | US | disclosed |
| EP-1648876-A1 | 5-HT SB 2B /SB RECEPTOR ANTAGONISTS | Pharmagene Laboratories Ltd (GB) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005012263-A1 | 5-HT2B RECEPTOR ANTAGONISTS | PHARMAGENE LABORATORIES LIMITED (GB) | 2005-02-10 | — | — | WO | disclosed |