⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10412582 | 0.81 | CA1 (0.31) | — | |
| SCHEMBL306061 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL5266333 | 0.77 | — | — | |
| SCHEMBL7303308 | 0.75 | — | — | |
| SCHEMBL5963338 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL4619172 | 0.69 | — | — | |
| SCHEMBL4456323 | 0.68 | — | — | |
| SCHEMBL1933630 | 0.65 | — | — | |
| SCHEMBL17721454 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL633249 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230091115-A1 | CROSSLINKABLE POLYSILOXANE | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2023-03-23 | — | — | US | disclosed |
| EP-1934388-B1 | METHOD OF DRUG DESIGN | ALCHEMIA LTD (AU) | 2012-12-05 | — | — | EP | disclosed |
| EP-1934388-A1 | METHOD OF DRUG DESIGN | Alchemia Ltd (AU) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007038829-A1 | METHOD OF DRUG DESIGN | ALCHEMIA LTD (AU) | 2007-04-12 | — | — | WO | disclosed |