⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4859045 | 0.73 | — | — | |
| Methimazole SCHEMBL41647 | 0.71 | — | — | |
| SCHEMBL4288325 | 0.71 | — | — | |
| Methimazole SCHEMBL6189739 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9675484 | 0.69 | — | — | |
| Methimazole SCHEMBL17287217 | 0.69 | — | — | |
| Methimazole SCHEMBL11566410 | 0.69 | — | — | |
| SCHEMBL14039906 | 0.67 | — | — | |
| SCHEMBL11334103 | 0.67 | — | — | |
| SCHEMBL995900 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112385019-B | Etchant composition | 朗姆研究公司 | 2025-04-29 | — | — | CN | disclosed |
| US-20110220506-A1 | RECOVERY OF MATERIALS FROM MIXTURES WITH IONIC LIQUIDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-09-15 | — | — | US | disclosed |
| US-20110223085-A1 | CARBON DIOXIDE CAPTURE WITH IONIC LIQUID ELECTROSPRAY | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-09-15 | — | — | US | disclosed |