⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8661929 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL1990626 | 0.70 | — | — | |
| SCHEMBL30864840 | 0.65 | — | — | |
| SCHEMBL1996808 | 0.64 | — | — | |
| SCHEMBL1533239 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL2429082 | 0.62 | — | — | |
| SCHEMBL9148354 | 0.62 | — | — | |
| SCHEMBL27410667 | 0.61 | SLC18A3 (0.36) | — | |
| SCHEMBL1098772 | 0.60 | TSHR (0.50) | — | |
| Fluoride SCHEMBL31607698 | 0.59 | TSHR (0.48) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5405948-A | Antitumor agents | ADIR ET COMPAGNIE (FR) | 1995-04-11 | — | — | US | disclosed |
| EP-0518753-A1 | Derivatives of 1,5-diyne-3-cycloalcene, their process of preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1992-12-16 | — | — | EP | disclosed |