⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170090 | 0.77 | — | — | |
| SCHEMBL4989518 | 0.77 | — | — | |
| Hydrogen Sulfide SCHEMBL28251643 | 0.74 | — | — | |
| Fluoride SCHEMBL28326051 | 0.74 | IDO1 (0.44) | — | |
| Formaldehyde SCHEMBL22288207 | 0.69 | FAAH (0.44) | — | |
| Methyl Alcohol SCHEMBL28059397 | 0.69 | APP (0.43) | — | |
| SCHEMBL6561405 | 0.69 | METAP2 (0.50) | — | |
| SCHEMBL655529 | 0.67 | — | — | |
| SCHEMBL9321615 | 0.67 | HSD17B1 (0.44) | — | |
| SCHEMBL2091284 | 0.67 | — | — |
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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110669058-A | Tricyclic quinolone carboxylic acid and preparation method thereof | 江西农业大学 | 2020-01-10 | — | — | CN | claimed |
| US-7547713-B2 | O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives | GU LIANQUAN | 2009-06-16 | — | — | US | claimed |
| US-20060111405-A1 | O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives | GU LIANQUAN | 2006-05-25 | — | — | US | claimed |
| EP-1155001-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2003-05-28 | — | — | EP | claimed |
| US-6417195-B1 | LIBRARIES AND COMBINATORIAL CHEMISTRY | LION BIOSCIENCE AG (DE) | 2002-07-09 | — | — | US | claimed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | claimed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | claimed |
| US-20230104311-A1 | NOVEL 6-SUBSTITUTED 7-DEAZAPURINES AND CORRESPONDING NUCLEOSIDES AS MEDICAMENTS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2023-04-06 | — | — | US | disclosed |
| EP-4106763-A1 | NOVEL 6-SUBSTITUTED 7-DEAZAPURINES AND CORRESPONDING NUCLEOSIDES AS MEDICAMENTS | Katholieke Universiteit Leuven KU Leuven Research & Development (BE) | 2022-12-28 | — | — | EP | disclosed |
| CN-108368064-B | 1,2, 3-triazole derivative and insecticide and acaricide comprising the same as active ingredient | 北兴化学工业株式会社 | 2022-04-26 | — | — | CN | disclosed |
| US-20210276988-A1 | 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS | GILEAD SCIENCES, INC. | 2021-09-09 | — | — | US | disclosed |
| US-5670526-A | ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-09-23 | — | — | US | disclosed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | disclosed |
| CN-1128496-A | Treatment of platelet derived growth factor related disorders such as cancers using inhibitors of platelet derived growth receptor | SUGEN INC (US) | 1996-08-07 | — | — | CN | disclosed |
| US-5260446-A | Azo dye precursors | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-09 | — | — | US | disclosed |
| EP-0433879-A2 | Aminothiazoles | BASF Aktiengesellschaft (DE) | 1991-06-26 | — | — | EP | disclosed |