⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14114631 | 0.75 | MAPK1 (0.30) | — | |
| SCHEMBL17651479 | 0.72 | MAPT (0.33) | — | |
| SCHEMBL4527585 | 0.72 | MAPK1 (0.32) | — | |
| SCHEMBL21810736 | 0.71 | CYP19A1 (0.31) | — | |
| SCHEMBL6238745 | 0.69 | CYP19A1 (0.33) | — | |
| SCHEMBL5583290 | 0.69 | MET (0.31) | — | |
| SCHEMBL25805323 | 0.69 | MAPK1 (0.33) | — | |
| SCHEMBL31404240 | 0.67 | CYP19A1 (0.39) | — | |
| SCHEMBL16730563 | 0.63 | CYP19A1 (0.33) | — | |
| SCHEMBL16727755 | 0.63 | CYP19A1 (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-1613707-B1 | RADIATION-CURED SUBSTANCES | COGNIS IP MAN GMBH (DE) | 2006-10-18 | — | — | EP | disclosed |
| EP-1613707-A1 | RADIATION-CURED SUBSTANCES | Cognis Deutschland GmbH & Co. KG (DE) | 2006-01-11 | — | — | EP | disclosed |
| EP-0921168-B1 | Radiation curable products based on epoxy(meth)acrylates | BASF AG (DE) | 2005-01-19 | — | — | EP | disclosed |
| WO-2004092289-A1 | RADIATION-CURED SUBSTANCES | COGNIS DEUTSCHLAND GMBH & CO. KG (DE) | 2004-10-28 | — | — | WO | disclosed |
| EP-0921168-A1 | Radiation curable products based on epoxy(meth)acrylates | BASF AKTIENGESELLSCHAFT (DE) | 1999-06-09 | — | — | EP | disclosed |