⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL3958028 | 0.88 | PTGS1 (0.31) | — | |
| Acetic Acid SCHEMBL2443767 | 0.88 | — | — | |
| SCHEMBL3958016 | 0.84 | CXCR1 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL535086 | 0.83 | NPC1 (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1462127 | 0.82 | KCNH2 (0.33) | — | |
| SCHEMBL2638738 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL4023809 | 0.81 | HIF1A (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL16700895 | 0.81 | CCR5 (0.32) | — | |
| Iodide SCHEMBL29441439 | 0.81 | — | — | |
| Bromide SCHEMBL31207563 | 0.81 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024223586-A1 | DEVICE, METHOD AND COMPUTER PROGRAM FOR PROCESSING OF A SURFACE OF A SUBSTRATE | CARL ZEISS SMT GMBH (DE) | 2024-10-31 | — | — | WO | disclosed |
| WO-2011000490-A2 | SYNTHESIS OF IONIC LIQUIDS | MERCK PATENT GMBH (DE) | 2011-01-06 | — | — | WO | disclosed |
| EP-1910252-A2 | DEHYDRATION OF ALCOHOLS TO FORM ALKENES OR ETHERS | Merck Patent GmbH (DE) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007014613-A2 | DEHYDRATION OF ALCOHOLS TO FORM ALKENES OR ETHERS | MERCK PATENT GMBH (DE) | 2007-02-08 | — | — | WO | disclosed |