⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL93224 | 0.78 | — | — | |
| SCHEMBL6722273 | 0.75 | — | — | |
| SCHEMBL29654621 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL9716539 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL1524777 | 0.74 | — | — | |
| SCHEMBL28773983 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL8459898 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL10668928 | 0.71 | — | — | |
| SCHEMBL193559 | 0.70 | — | — | |
| SCHEMBL3632057 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9295963-A | — | — | None | — | — | JP | disclosed |
| US-20080161597-A1 | Method For the Production of a Thioacetic Acid and Salts Thereof | LONZA AG (CH) | 2008-07-03 | — | — | US | disclosed |
| JP-H09295963-A | PRODUCTION OF D-ACETYLTHIOISOBUTYRIC ACID | TOYO KASEI KOGYO CO LTD | 1997-11-18 | — | — | JP | disclosed |