⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7931691 | 0.62 | — | — | |
| SCHEMBL5089666 | 0.62 | TSHR (0.32) | — | |
| SCHEMBL5085813 | 0.58 | — | — | |
| SCHEMBL7930499 | 0.54 | — | — | |
| SCHEMBL8569383 | 0.53 | — | — | |
| SCHEMBL8216564 | 0.52 | — | — | |
| SCHEMBL7638710 | 0.51 | — | — | |
| SCHEMBL1921327 | 0.51 | — | — | |
| SCHEMBL7639354 | 0.51 | — | — | |
| SCHEMBL28079451 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7105690-B2 | Method for producing transition metal compounds and their use for the polymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2006-09-12 | — | — | US | disclosed |
| US-20030191334-A1 | Method for producing transition metal compounds and their use for the polymerization of olefins | BASELL POLYPROPYLEN GMBH (DE) | 2003-10-09 | — | — | US | disclosed |