⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL277096 | 0.57 | — | — | |
| SCHEMBL3083314 | 0.53 | ALDH1A1 (0.30) | — | |
| 2,2,3-Trimethylbutane SCHEMBL122284 | 0.53 | — | — | |
| SCHEMBL4076637 | 0.53 | ALDH1A1 (0.30) | — | |
| 2,2,3-Trimethylbutane SCHEMBL4481319 | 0.53 | ALDH1A1 (0.44) | — | |
| SCHEMBL2040360 | 0.50 | — | — | |
| SCHEMBL10790404 | 0.50 | — | — | |
| SCHEMBL1320186 | 0.50 | — | — | |
| SCHEMBL10396610 | 0.50 | — | — | |
| SCHEMBL205358 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6518375-B1 | Trivalent alkyl chromium compound catalyst for the production of an ethylene polymer | JAPAN POLYOLEFINS CO., LTD. (JP) | 2003-02-11 | — | — | US | disclosed |
| EP-1041085-B1 | Catalyst for the production of ethylene polymer and process for producing ethylene polymer | JAPAN POLYOLEFINS CO LTD (JP) | 2002-08-14 | — | — | EP | disclosed |
| EP-1041085-A1 | Catalyst for the production of ethylene polymer and process for producing ethylene polymer | Japan Polyolefins Co., Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |