⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27974482 | 0.85 | TSHR (0.31) | — | |
| SCHEMBL20960691 | 0.78 | — | — | |
| SCHEMBL4559131 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL26368 | 0.75 | — | — | |
| SCHEMBL9514804 | 0.75 | — | — | |
| SCHEMBL23181655 | 0.74 | — | — | |
| SCHEMBL763723 | 0.74 | — | — | |
| SCHEMBL21547559 | 0.72 | — | — | |
| SCHEMBL21471609 | 0.72 | — | — | |
| Methylamine SCHEMBL6868266 | 0.72 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2616513-B1 | CATALYSTS AND METHODS FOR POLYMER SYNTHESIS | SAUDI ARAMCO TECH CO (SA) | 2019-11-06 | — | — | EP | disclosed |