⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11435313 | 0.64 | — | — | |
| SCHEMBL10488834 | 0.64 | CA1 (0.31) | — | |
| SCHEMBL358429 | 0.64 | — | — | |
| SCHEMBL7275692 | 0.64 | — | — | |
| SCHEMBL9588778 | 0.57 | MAOA (0.36) | — | |
| SCHEMBL55947 | 0.53 | — | — | |
| SCHEMBL3991556 | 0.51 | — | — | |
| SCHEMBL7085705 | 0.50 | — | — | |
| SCHEMBL1665742 | 0.49 | — | — | |
| SCHEMBL1725392 | 0.49 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1756114-B1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-11-19 | — | — | EP | claimed |
| US-7538112-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-05-26 | — | — | US | claimed |
| US-20080287394-A1 | Hiv Integrase Inhibitors | MERCK & CO., INC. (US) | 2008-11-20 | — | — | US | claimed |
| CN-110352192-B | Heterocyclic compound and harmful arthropod control agent containing same | 住友化学株式会社 | 2023-03-24 | — | — | CN | disclosed |
| EP-3514155-B1 | HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME | SUMITOMO CHEMICAL CO (JP) | 2021-06-09 | — | — | EP | disclosed |
| US-10721929-B2 | Heterocyclic compound and harmful-arthropod-controlling agent containing same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2020-07-28 | — | — | US | disclosed |
| US-20190223436-A1 | HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2019-07-25 | — | — | US | disclosed |
| EP-3514155-A1 | HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME | Sumitomo Chemical Company, Limited (JP) | 2019-07-24 | — | — | EP | disclosed |
| EP-1756114-B1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-11-19 | — | — | EP | disclosed |
| US-7538112-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-05-26 | — | — | US | disclosed |
| US-20080287394-A1 | Hiv Integrase Inhibitors | MERCK & CO., INC. (US) | 2008-11-20 | — | — | US | disclosed |