⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10654788 | 0.85 | — | — | |
| Bromide SCHEMBL28276997 | 0.83 | CYP11B1 (0.41) | — | |
| SCHEMBL22280734 | 0.80 | — | — | |
| SCHEMBL179249 | 0.79 | — | — | |
| Iodide SCHEMBL29201349 | 0.77 | NFKB1 (0.48) | — | |
| Methane SCHEMBL27732895 | 0.77 | NFKB1 (0.48) | — | |
| Bromide SCHEMBL28416620 | 0.77 | NFKB1 (0.48) | — | |
| SCHEMBL22412682 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29201345 | 0.77 | NFKB1 (0.48) | — | |
| SCHEMBL26111774 | 0.77 | NFKB1 (0.48) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12030869-B2 | 5-membered heteroaryl carboxamide compounds for treatment of HBV | ASSEMBLY BIOSCIENCES, INC. (US) | 2024-07-09 | — | — | US | disclosed |
| US-11352354-B2 | Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof | XIAMEN UNIVERSITY (CN) | 2022-06-07 | — | — | US | disclosed |
| US-20200165246-A1 | SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF | XIAMEN UNIVERSITY (CN) | 2020-05-28 | — | — | US | disclosed |
| EP-2688405-B1 | COMPOSITIONS CONTAINING POLYMERIC, IONIC COMPOUNDS COMPRISING IMIDAZOLIUM GROUPS | BASF SE (DE) | 2017-11-22 | — | — | EP | disclosed |
| US-9725436-B2 | Cytochrome P450 inhibitors and their method of use | CORTENDO AB (PUBL) (US) | 2017-08-08 | — | — | US | disclosed |
| WO-2017069601-A1 | SUBSTITUTED AMINOALKYLAZOLES AS MALARIAL ASPARTIC PROTEASE INHIBITORS | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2017-04-27 | — | — | WO | disclosed |
| US-7592456-B2 | Arylsulfonylnaphthalene derivatives as 5HT2A antagonists | MERCK SHARP & DOHME LIMITED (GB) | 2009-09-22 | — | — | US | disclosed |
| EP-1824817-B1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2009-02-04 | — | — | EP | disclosed |
| US-20070281952-A1 | Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists | MERCK SHARPE & DOHME LIMITED (GB) | 2007-12-06 | — | — | US | disclosed |
| EP-1824817-A1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006059149-A1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-06-08 | — | — | WO | disclosed |
| US-6342503-B1 | ANTIDEPRESSANTS, EATING DISORDERS | DUPONT PHARMACEUTICALS COMPANY | 2002-01-29 | — | — | US | disclosed |
| US-6107301-A | PSYCHOLOGICAL DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-08-22 | — | — | US | disclosed |
| EP-0723533-A1 | 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-31 | — | — | EP | disclosed |
| WO-1995010506-A1 | 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-20 | — | — | WO | disclosed |
| CN-85105797-A | The preparation of antimicrobial compounds | — | 1986-08-27 | — | — | CN | disclosed |