⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18063306 | 0.69 | HSD17B10 (0.33) | — | |
| SCHEMBL2495960 | 0.68 | — | — | |
| SCHEMBL14342908 | 0.65 | — | — | |
| SCHEMBL27840280 | 0.65 | — | — | |
| SCHEMBL13752355 | 0.59 | — | — | |
| SCHEMBL27302002 | 0.59 | — | — | |
| SCHEMBL8650182 | 0.59 | — | — | |
| SCHEMBL2465499 | 0.59 | — | — | |
| SCHEMBL11976412 | 0.57 | — | — | |
| SCHEMBL12629749 | 0.57 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2539375-A2 | INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II | BASF Corporation (US) | 2013-01-02 | — | — | EP | disclosed |
| WO-2011106480-A2 | INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II | BASF CORPORATION (US) | 2011-09-01 | — | — | WO | disclosed |