⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6249298 | 0.78 | — | — | |
| SCHEMBL6252964 | 0.77 | — | — | |
| SCHEMBL28429587 | 0.74 | — | — | |
| SCHEMBL6249651 | 0.67 | NOS3 (0.30) | — | |
| SCHEMBL6250420 | 0.66 | — | — | |
| SCHEMBL2476674 | 0.66 | — | — | |
| SCHEMBL7641566 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL8612909 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL6252962 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL2353560 | 0.64 | — | — |
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-6100352-A | USING A CATALYST CONSISTING OF A TRANSITION METAL COMPOUND, A COMPOUND CAPABLE OF FORMING AN IONIC COMPOUND BY REACTING WITH THE TRANSITION METAL COMPOUND OR AN OXYGEN-CONTAINING COMPOUND SUCH AS ALUMINOXANE | IDEMITSU KOSAN CO., LTD. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0810238-B1 | A process for producing polymer | IDEMITSU KOSAN CO (JP) | 2000-02-02 | — | — | EP | disclosed |
| EP-0810238-A1 | A process for producing polymer | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1997-12-03 | — | — | EP | disclosed |