⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3076470 | 0.84 | — | — | |
| SCHEMBL2870244 | 0.78 | NPC1 (0.32) | — | |
| SCHEMBL5089538 | 0.78 | — | — | |
| SCHEMBL6471561 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL6656596 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL14973884 | 0.71 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL16857703 | 0.70 | — | — | |
| SCHEMBL4461453 | 0.69 | NPC1 (0.31) | — | |
| SCHEMBL3670574 | 0.69 | NPC1 (0.30) | — | |
| SCHEMBL6927097 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1985637-B1 | Propylene copolymer, polypropylene composition, use thereof, transition metal compounds, and catalysts for olefin polymerization | MITSUI CHEMICALS INC (JP) | 2010-03-03 | — | — | EP | disclosed |
| US-6515086-B1 | A process for preparing polyolefins having a monomer length of up to C10, which comprises first contacting: (1) a metallocene catalyst component for the preparation of a polyolefin which comprises an isotactic polyolefin or | FINA RESEARCH, S.A. (BE) | 2003-02-04 | — | — | US | disclosed |