⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6065824 | 0.88 | — | — | |
| SCHEMBL6065665 | 0.88 | — | — | |
| SCHEMBL6065272 | 0.85 | — | — | |
| SCHEMBL6066109 | 0.84 | DPP4 (0.30) | — | |
| SCHEMBL6065736 | 0.84 | — | — | |
| SCHEMBL6065291 | 0.84 | — | — | |
| SCHEMBL6065447 | 0.80 | EPHX2 (0.31) | — | |
| SCHEMBL6065799 | 0.80 | TAS1R3 (0.34) | — | |
| SCHEMBL6065647 | 0.79 | TAS1R3 (0.36) | — | |
| SCHEMBL6065693 | 0.79 | — | — |
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 |