⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31474874 | 0.77 | — | — | |
| SCHEMBL3655757 | 0.69 | — | — | |
| SCHEMBL4680941 | 0.64 | — | — | |
| SCHEMBL30397535 | 0.62 | — | — | |
| SCHEMBL3631898 | 0.58 | — | — | |
| SCHEMBL28740446 | 0.57 | — | — | |
| SCHEMBL6297344 | 0.55 | — | — | |
| SCHEMBL2253592 | 0.55 | — | — | |
| SCHEMBL2081169 | 0.54 | — | — | |
| SCHEMBL31575872 | 0.54 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110536889-A | Atazanavir (ATV) analogs for the treatment of HIV infection | GILEAD SCIENCES INC | 2019-12-03 | — | — | CN | disclosed |
| CN-110156754-A | A kind of inhibiting effect of trisubstituted pyrimidine derivatives to protein kinase | 杭州百诚医药科技股份有限公司 | 2019-08-23 | — | — | CN | disclosed |
| CN-109715155-A | blood brain barrier-penetrating agent dopamine- β -hydroxylase inhibitors | 巴尔-波特拉及康邦亚股份有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-109715633-A | Dopamine-B-hydroxylase inhibitors | 巴尔-波特拉及康邦亚股份有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-109311876-A | heteroaryl estrogen receptor modulators and uses thereof | 豪夫迈·罗氏有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-101796038-B | Oxazole tyrosine kinase inhibitors | SAREUM LTD. (GB) | 2014-10-29 | — | — | CN | disclosed |
| CN-103130739-A | Compounds having thrombopoietin receptor agonism | SHIONOGI & CO | 2013-06-05 | — | — | CN | disclosed |
| EP-1345930-A2 | PHARMACEUTICAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002050067-A2 | PHARMACEUTICAL HETEROCYCLIC COMPOUNDS | ELI LILLY AND COMPANY (US) | 2002-06-27 | — | — | WO | disclosed |