⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5827 | 0.95 | — | — | |
| SCHEMBL10837009 | 0.90 | TSHR (0.39) | — | |
| SCHEMBL28551603 | 0.90 | — | — | |
| Hydrogen Peroxide SCHEMBL27514068 | 0.90 | — | — | |
| Bromide SCHEMBL29707182 | 0.90 | — | — | |
| SCHEMBL31460611 | 0.90 | — | — | |
| SCHEMBL28066402 | 0.90 | — | — | |
| Methane SCHEMBL11824338 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL2033177 | 0.90 | — | — | |
| SCHEMBL27640954 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112467110-A | Organic battery electrode and preparation method thereof | 黄涛 | 2021-03-09 | — | — | CN | claimed |
| CN-112467110-A | Organic battery electrode and preparation method thereof | 黄涛 | 2021-03-09 | — | — | CN | disclosed |
| 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 |
| CN-101151271-A | Process for producing titanium alkoxide complex | SUMITOMO CHEMICAL CO (JP) | 2008-03-26 | — | — | CN | disclosed |