⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12817441 | 1.00 | — | — | |
| SCHEMBL12817329 | 0.95 | ACHE (0.32) | — | |
| SCHEMBL15410076 | 0.92 | ESR1 (0.30) | — | |
| SCHEMBL12818209 | 0.92 | ESR1 (0.30) | — | |
| SCHEMBL12817455 | 0.89 | NPC1 (0.30) | — | |
| SCHEMBL15409369 | 0.88 | — | — | |
| SCHEMBL12816790 | 0.88 | — | — | |
| SCHEMBL12816460 | 0.88 | — | — | |
| SCHEMBL15410256 | 0.88 | — | — | |
| SCHEMBL10320693 | 0.87 | ESR1 (0.32) | — |
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-8937195-B2 | Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-01-20 | — | — | US | disclosed |
| EP-2691406-A1 | METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) | Sumitomo Chemical Company, Limited (JP) | 2014-02-05 | — | — | EP | disclosed |
| US-20140018564-A1 | METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-01-16 | — | — | US | disclosed |
| WO-2012133924-A1 | METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-10-04 | — | — | WO | disclosed |