⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12202474 | 0.80 | — | — | |
| SCHEMBL5316495 | 0.77 | — | — | |
| Butane SCHEMBL1536067 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL22510506 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL22883518 | 0.74 | — | — | |
| SCHEMBL23233853 | 0.74 | — | — | |
| SCHEMBL4196069 | 0.73 | ALDH1A1 (0.37) | — | |
| Acetic Acid SCHEMBL7555401 | 0.72 | FFAR3 (0.39) | — | |
| Methacrylic Acid SCHEMBL10536704 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL35307 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63162271-A | — | — | None | — | — | JP | disclosed |
| US-20040236017-A1 | Method for the production of grafted copolymers made of starch, tert-alkylazocyanocarboxylic acid esters and grafted copolymers and the use thereof | SUDZUCKER AG MANNHEIM/OSCHSENFURT (DE) | 2004-11-25 | — | — | US | disclosed |
| JP-S63162271-A | INK JET RECORDING SHEET | KURARAY CO LTD | 1988-07-05 | — | — | JP | disclosed |