⚠ 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 SCHEMBL28307145 | 0.96 | — | — | |
| SCHEMBL615653 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL6578879 | 0.91 | CCR5 (0.43) | — | |
| Bromide SCHEMBL28317628 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL10406911 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL6578886 | 0.91 | — | — | |
| Trimethylammonium SCHEMBL27899590 | 0.81 | — | — | |
| SCHEMBL20276680 | 0.75 | CCR5 (0.32) | — | |
| SCHEMBL5381064 | 0.75 | — | — | |
| SCHEMBL3308474 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104428299-B | 5- azaindazole compounds and its application method | 霍夫曼-拉罗奇有限公司 | 2018-05-11 | — | — | CN | claimed |
| CN-109310668-A | Positive allosteric modulators of muscarinic acetylcholine receptor M4 | 范德比尔特大学 | 2019-02-05 | — | — | CN | disclosed |
| CN-108473478-A | TBK/IKK inhibitor compounds and uses thereof | 默克专利有限公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-107001377-A | Pyrazolo [1,5 A] pyrimidine derivatives replaced to piperidines of the duplication with inhibitory activity of Respiratory Syncytial Virus(RSV) (RSV) | 爱尔兰詹森科学公司 | 2017-08-01 | — | — | CN | disclosed |