⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7596231 | 0.89 | — | — | |
| SCHEMBL7623590 | 0.84 | — | — | |
| SCHEMBL7626525 | 0.84 | — | — | |
| SCHEMBL7631623 | 0.84 | — | — | |
| SCHEMBL30740431 | 0.84 | — | — | |
| SCHEMBL149603 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL30740392 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL8366227 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL17923452 | 0.78 | — | — | |
| SCHEMBL7622747 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001048037-A1 | MIXED METAL ALKOXIDE AND CYCLOALKADIENYL CATALYSTS FOR THE PRODUCTION OF POLYOLEFINS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2001-07-05 | — | — | WO | disclosed |
| WO-2001048038-A1 | HYBRID ZIEGLER-NATTA AND CYCLOALKADIENYL CATALYSTS FOR THE PRODUCTION OF POLYOLEFINS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2001-07-05 | — | — | WO | disclosed |