⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8872441 | 0.97 | TSHR (0.35) | — | |
| SCHEMBL2954636 | 0.97 | TSHR (0.35) | — | |
| SCHEMBL10628467 | 0.82 | TSHR (0.46) | — | |
| SCHEMBL14777661 | 0.79 | — | — | |
| SCHEMBL4137127 | 0.78 | — | — | |
| SCHEMBL9821419 | 0.77 | — | — | |
| SCHEMBL885628 | 0.76 | — | — | |
| SCHEMBL6763927 | 0.76 | EP300 (0.35) | — | |
| SCHEMBL368696 | 0.76 | — | — | |
| SCHEMBL5483027 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5830987-A | Amino-acrylate polymers and method | HEHR INTERNATIONAL INC. (US) | 1998-11-03 | — | — | US | claimed |
| CN-109232243-A | The method that one kettle way prepares acrylic acid straight chained alkyl cyclohexyl | 上海博栋化学科技有限公司 | 2019-01-18 | — | — | CN | disclosed |
| WO-2014016395-A1 | FRAGRANT OIL ENCAPSULATION | PAPIERFABRIK AUGUST KOEHLER AG (DE) | 2014-01-30 | — | — | WO | disclosed |