⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28299293 | 0.91 | — | — | |
| Sulfuric Acid SCHEMBL28993324 | 0.85 | — | — | |
| SCHEMBL30315831 | 0.69 | — | — | |
| SCHEMBL28637778 | 0.69 | — | — | |
| SCHEMBL11313111 | 0.68 | — | — | |
| SCHEMBL11882059 | 0.67 | — | — | |
| SCHEMBL7221798 | 0.65 | — | — | |
| SCHEMBL19582691 | 0.65 | — | — | |
| SCHEMBL27621940 | 0.65 | — | — | |
| SCHEMBL4458508 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109251265-A | A kind of CGC type amine fluorenes rare-earth metal catalyst, preparation method and application | 北京理工大学 | 2019-01-22 | — | — | CN | claimed |
| CN-105037588-B | A kind of iso-indoles rare-earth metal catalyst, preparation method and application | 北京理工大学 | 2017-12-05 | — | — | CN | claimed |
| CN-107312115-A | A kind of pair of indoles rare-earth metal catalyst, preparation method and application | 北京理工大学 | 2017-11-03 | — | — | CN | claimed |
| CN-109251265-A | A kind of CGC type amine fluorenes rare-earth metal catalyst, preparation method and application | 北京理工大学 | 2019-01-22 | — | — | CN | disclosed |
| CN-105037588-B | A kind of iso-indoles rare-earth metal catalyst, preparation method and application | 北京理工大学 | 2017-12-05 | — | — | CN | disclosed |
| CN-107312115-A | A kind of pair of indoles rare-earth metal catalyst, preparation method and application | 北京理工大学 | 2017-11-03 | — | — | CN | disclosed |