⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6066171 | 0.68 | — | — | |
| SCHEMBL6065022 | 0.63 | PKM (0.33) | — | |
| SCHEMBL6066102 | 0.60 | KDM4E (0.32) | — | |
| SCHEMBL6066134 | 0.60 | TSHR (0.32) | — | |
| SCHEMBL6065850 | 0.59 | TSHR (0.33) | — | |
| SCHEMBL6065234 | 0.59 | L3MBTL1 (0.31) | — | |
| SCHEMBL6065557 | 0.59 | TSHR (0.31) | — | |
| SCHEMBL6065872 | 0.59 | SHBG (0.31) | — | |
| SCHEMBL283774 | 0.59 | — | — | |
| SCHEMBL6065044 | 0.59 | KDM4E (0.31) | — |
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-7101940-B2 | Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2006-09-05 | — | — | US | disclosed |
| US-20030013913-A1 | Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins | EQUISTAR CHEMICALS, LP | 2003-01-16 | — | — | US | disclosed |