⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27558991 | 0.88 | CYP1A2 (0.31) | — | |
| SCHEMBL6656103 | 0.81 | — | — | |
| SCHEMBL6925829 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL6661685 | 0.80 | — | — | |
| SCHEMBL6920792 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6662494 | 0.78 | — | — | |
| SCHEMBL7520819 | 0.75 | — | — | |
| SCHEMBL2873173 | 0.73 | NPC1 (0.39) | — | |
| SCHEMBL5008830 | 0.72 | CYP19A1 (0.31) | — | |
| SCHEMBL5011319 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1169356-B1 | POLYOLEFIN PRODUCTION | ATOFINA RES (BE) | 2004-07-14 | — | — | 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 |
| CN-1346373-A | Polyolefin production | ATO FINA RES S A (BE) | 2002-04-24 | — | — | CN | disclosed |