⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12817359 | 0.92 | — | — | |
| SCHEMBL12817096 | 0.92 | — | — | |
| SCHEMBL12817330 | 0.90 | — | — | |
| SCHEMBL12816949 | 0.90 | — | — | |
| SCHEMBL6425318 | 0.86 | IDO1 (0.33) | — | |
| SCHEMBL12818051 | 0.84 | — | — | |
| SCHEMBL9742211 | 0.80 | CYP3A4 (0.36) | — | |
| SCHEMBL12817157 | 0.75 | — | — | |
| SCHEMBL7191569 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL26191685 | 0.74 | ACHE (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9090527-B2 | Method for producing transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing substituted cyclopentadiene compound (2) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-07-28 | — | — | US | disclosed |
| EP-2691405-A1 | METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) | Sumitomo Chemical Company Limited (JP) | 2014-02-05 | — | — | EP | disclosed |
| US-20140018565-A1 | METHOD FOR PRODUCING TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-01-16 | — | — | US | disclosed |
| WO-2012133925-A1 | METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-10-04 | — | — | WO | disclosed |