⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7599029 | 0.90 | — | — | |
| SCHEMBL7599003 | 0.85 | — | — | |
| SCHEMBL7599148 | 0.76 | — | — | |
| SCHEMBL796716 | 0.74 | NPC1 (0.32) | — | |
| SCHEMBL7598111 | 0.73 | KDM4E (0.35) | — | |
| SCHEMBL7599704 | 0.72 | ALOX15 (0.31) | — | |
| SCHEMBL7602970 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8604890 | 0.69 | SLC6A4 (0.36) | — | |
| Hydrochloric Acid SCHEMBL7584293 | 0.67 | SLC6A4 (0.34) | — | |
| Hydrochloric Acid SCHEMBL8603782 | 0.67 | SLC6A4 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6410665-B1 | POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN | BASELL POLYOLEFINE GMBH (DE) | 2002-06-25 | — | — | US | claimed |