⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8158100 | 0.79 | — | — | |
| SCHEMBL8164386 | 0.76 | — | — | |
| SCHEMBL8164876 | 0.74 | — | — | |
| SCHEMBL8168904 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8164777 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8164767 | 0.66 | — | — | |
| SCHEMBL2615678 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL27729113 | 0.60 | — | — | |
| SCHEMBL8165251 | 0.59 | — | — | |
| SCHEMBL710734 | 0.59 | — | — |
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-6107232-A | TRANSITION METAL COMPOUND | IDEMITSU KOSAN CO., LTD. (JP) | 2000-08-22 | — | — | US | disclosed |
| EP-0675138-B1 | POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMER USING THE SAME | IDEMITSU KOSAN CO (JP) | 1999-09-22 | — | — | EP | disclosed |
| EP-0675138-A1 | POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMER USING THE SAME | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1995-10-04 | — | — | EP | disclosed |