⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7158700 | 0.64 | NPC1 (0.36) | — | |
| SCHEMBL27697857 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL2306675 | 0.59 | — | — | |
| SCHEMBL10602015 | 0.57 | ESR1 (0.42) | — | |
| SCHEMBL12733160 | 0.56 | RARB (0.47) | — | |
| SCHEMBL1516123 | 0.54 | ESR2 (0.61) | — | |
| SCHEMBL11804925 | 0.54 | SLC6A2 (0.39) | — | |
| SCHEMBL5086513 | 0.54 | — | — | |
| SCHEMBL2387990 | 0.53 | SLC6A4 (0.48) | — | |
| Hydrogen Peroxide SCHEMBL9938277 | 0.53 | AKR1C1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7449533-B2 | Metallocene compound, process for preparing metallocene compound, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin | MITSUI CHEMICALS, INC. (JP) | 2008-11-11 | — | — | US | disclosed |
| EP-1138687-B1 | Metallocenes, their preparation, olefin polymerisation catalysts and a process for producing polyolefins | MITSUI CHEMICALS INC (JP) | 2007-04-11 | — | — | EP | disclosed |
| US-20050228155-A1 | Metallocene compound, process for preparing metallocene compund, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin | MITSUI CHEMICALS, INC. (JP) | 2005-10-13 | — | — | US | disclosed |
| US-6939928-B1 | Metallocene compound, process for producing metallocene compound, olefin polymerization catalyst, process for producing polyolefin, and polyolefin | MITSUI CHEMICALS, INC. (JP) | 2005-09-06 | — | — | US | disclosed |
| EP-1138687-A1 | METALLOCENE COMPOUND, PROCESS FOR PRODUCING METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING POLYOLEFIN, AND POLYOLEFIN | Mitsui Chemicals, Inc. (JP) | 2001-10-04 | — | — | EP | disclosed |