⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11854298 | 0.77 | — | — | |
| SCHEMBL809551 | 0.71 | — | — | |
| SCHEMBL1410619 | 0.70 | — | — | |
| SCHEMBL9171978 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL3685178 | 0.68 | TSHR (0.38) | — | |
| SCHEMBL11170814 | 0.68 | TSHR (0.38) | — | |
| SCHEMBL9578924 | 0.68 | TSHR (0.38) | — | |
| SCHEMBL7728712 | 0.68 | — | — | |
| SCHEMBL7601799 | 0.68 | — | — | |
| SCHEMBL9067898 | 0.68 | — | — |
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-7968734-B2 | Organocatalysts and methods of use in chemical synthesis | STC.UNM (US) | 2011-06-28 | — | — | US | disclosed |
| US-20070244328-A1 | Organocatalysts and Methods of Use in Chemical Synthesis | STC.UNM (US) | 2007-10-18 | — | — | US | disclosed |