⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7940884 | 0.67 | CA12 (0.32) | — | |
| SCHEMBL7633204 | 0.67 | — | — | |
| SCHEMBL7635649 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL6905986 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL8207408 | 0.64 | — | — | |
| SCHEMBL4883799 | 0.63 | PREP (0.30) | — | |
| SCHEMBL10407083 | 0.63 | PREP (0.33) | — | |
| SCHEMBL2863142 | 0.62 | — | — | |
| SCHEMBL4886317 | 0.62 | — | — | |
| SCHEMBL4891338 | 0.62 | PREP (0.35) | — |
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-0975644-A1 | SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYST SYSTEMS, THEIR INTERMEDIATES AND METHODS FOR PREPARING THEM | BOREALIS A/S (DK) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998046616-A1 | SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYST SYSTEMS, THEIR INTERMEDIATES AND METHODS FOR PREPARING THEM | BOREALIS A/S (DK) | 1998-10-22 | — | — | WO | disclosed |