⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL525969 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29110947 | 0.75 | — | — | |
| SCHEMBL28425299 | 0.75 | — | — | |
| SCHEMBL19286239 | 0.73 | — | — | |
| SCHEMBL12815365 | 0.71 | — | — | |
| SCHEMBL3643571 | 0.68 | — | — | |
| SCHEMBL20004458 | 0.62 | — | — | |
| SCHEMBL18381168 | 0.62 | — | — | |
| SCHEMBL8982157 | 0.60 | — | — | |
| SCHEMBL16804381 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102666561-B | Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2015-11-25 | — | — | CN | disclosed |
| CN-102666561-A | Transition metal complex, preparation method for said transition metal complex, trimerization catalyst, preparation method for 1-hexene, preparation method for ethylene polymer, substituted cyclopentadiene compound, and preparation method for said su | SUMITOMO CHEMICAL CO | 2012-09-12 | — | — | CN | disclosed |