⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14541957 | 0.78 | — | — | |
| SCHEMBL11260859 | 0.76 | — | — | |
| SCHEMBL26565375 | 0.76 | — | — | |
| SCHEMBL21081783 | 0.76 | TDP1 (0.44) | — | |
| SCHEMBL7633937 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL31362257 | 0.74 | ALDH1A1 (0.58) | — | |
| SCHEMBL8916241 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL861540 | 0.74 | — | — | |
| SCHEMBL3265856 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL18857787 | 0.69 | — | — |
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 |