⚠ 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 SCHEMBL161528 | 0.97 | TAAR1 (0.59) | — | |
| Methane SCHEMBL10520385 | 0.97 | TAAR1 (0.59) | — | |
| Bromide SCHEMBL29023877 | 0.97 | TAAR1 (0.59) | — | |
| Iodide SCHEMBL28970937 | 0.97 | TAAR1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL28560181 | 0.94 | TAAR1 (0.56) | — | |
| SCHEMBL5828443 | 0.92 | HRH3 (0.74) | — | |
| SCHEMBL28384280 | 0.89 | TAAR1 (0.52) | — | |
| SCHEMBL17967545 | 0.87 | MAOB (0.53) | — | |
| SCHEMBL6158673 | 0.85 | ST14 (0.68) | — | |
| Water SCHEMBL921680 | 0.83 | ST14 (0.65) | — |
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
Appears in 2399 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4724442-A1 | AGONISM-ANTAGONISM IN ENDOSOMAL TLRS BY MODULATING CHEMICAL FEATURES IN 8-OXOPURINE: PROCESS FOR PREPARATION AND APPLICATION THEREOF | Council of Scientific and Industrial Research (IN) | 2026-04-15 | — | — | EP | claimed |
| CN-119977906-A | A-site cation-regulated halide perovskite, and preparation method and application thereof | 西北大学 | 2025-05-13 | — | — | CN | claimed |
| CN-119708528-A | Cd-MOF material and preparation method and application thereof | 山西师范大学 | 2025-03-28 | — | — | CN | claimed |
| CN-118976370-B | Positively charged nanofiltration membrane based on quaternized monomers and preparation method and application thereof | 同济大学 | 2025-03-21 | — | — | CN | claimed |
| CN-119528816-A | PARP-1 inhibitor and preparation method thereof | 吉林省药物研究院 | 2025-02-28 | — | — | CN | claimed |
| CN-119019410-B | Adenosine triphosphate aggregation-induced emission compound, and preparation method and application thereof | 广东工业大学 | 2025-02-14 | — | — | CN | claimed |
| CN-119140080-B | Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof | 中国科学院理化技术研究所 | 2025-02-11 | — | — | CN | claimed |
| CN-119140080-A | Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof | 中国科学院理化技术研究所 | 2024-12-17 | — | — | CN | claimed |
| CN-119118901-A | Oxindole derivative, preparation method thereof and application thereof in TRPA1 inhibitor direction | 中国人民解放军北部战区总医院 | 2024-12-13 | — | — | CN | claimed |
| CN-118702715-B | Nitrosoperoxide aggregation-induced emission compound, and preparation method and application thereof | 广东工业大学 | 2024-11-29 | — | — | CN | claimed |
| WO-2001068605-A1 | POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-09-20 | — | — | WO | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2001019779-A1 | PREPARATION OF HALOGENATED PRIMARY AMINES | ALLIEDSIGNAL INC. (US) | 2001-03-22 | — | — | WO | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | 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 |
| CN-1202888-A | Isoquinoline derivatives and isoquinoline combinatorial libraries | TORREY PINES INST (US) | 1998-12-23 | — | — | CN | 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 |