⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL861539 | 0.76 | — | — | |
| SCHEMBL27477120 | 0.72 | — | — | |
| SCHEMBL11586711 | 0.72 | — | — | |
| SCHEMBL7633934 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL11235197 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL7263276 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL11260854 | 0.70 | — | — | |
| SCHEMBL21573896 | 0.70 | — | — | |
| SCHEMBL8916225 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL9768534 | 0.68 | ALDH1A1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2170588-B1 | REPAIR OF A MOULD | INVICON CHEMICAL SOLUTIONS GMBH (AT) | 2012-02-01 | — | — | EP | disclosed |
| EP-2170588-A1 | REPAIR OF A MOULD | Invicon Chemical Solutions Gmbh (AT) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009003203-A1 | REPAIR OF A MOULD | INVICON CHEMICAL SOLUTIONS GMBH (AT) | 2009-01-08 | — | — | WO | disclosed |
| EP-1589050-B1 | Repair kit | INVICON CHEMICAL SOLUTIONS GMB (AT) | 2008-04-30 | — | — | EP | disclosed |
| EP-1589050-A1 | Repair kit | Invicon Chemical Solutions GmbH (AT) | 2005-10-26 | — | — | EP | disclosed |