⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6904015 | 0.88 | NPC1 (0.31) | — | |
| SCHEMBL6905754 | 0.87 | — | — | |
| SCHEMBL6903956 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL5185941 | 0.80 | MEN1 (0.35) | — | |
| SCHEMBL5186735 | 0.80 | MEN1 (0.35) | — | |
| SCHEMBL6897223 | 0.78 | CNR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL2858361 | 0.77 | AKR1C3 (0.30) | — | |
| SCHEMBL2858365 | 0.77 | — | — | |
| SCHEMBL6903066 | 0.76 | L3MBTL1 (0.34) | — | |
| SCHEMBL6904043 | 0.75 | CNR2 (0.33) | — |
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-20040214953-A1 | Polyethylene composition and process for producing same | TOSOH CORPORATION | 2004-10-28 | — | — | US | disclosed |