⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27915759 | 1.00 | ALDH1A1 (0.50) | — | |
| Methyl Alcohol SCHEMBL29141832 | 0.90 | ALDH1A1 (0.41) | — | |
| Formaldehyde SCHEMBL27883709 | 0.90 | ALDH1A1 (0.41) | — | |
| Bicarbonate SCHEMBL10635309 | 0.85 | LMNA (0.46) | — | |
| Alcohol SCHEMBL28872670 | 0.83 | KMT2A (0.36) | — | |
| SCHEMBL246058 | 0.78 | — | — | |
| SCHEMBL32457366 | 0.78 | — | — | |
| SCHEMBL104786 | 0.78 | — | — | |
| SCHEMBL11024032 | 0.78 | — | — | |
| SCHEMBL13019561 | 0.78 | — | — |
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 4042 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 |
|---|---|---|---|---|---|---|---|
| WO-2025129105-A1 | COMPOSITION AND METHOD FOR DETECTION OF BIOMOLECULES VIA AROMATIC LABELING USING HETEROCYCLIC COMPOUNDS | Life Technologies Corporation (US) | 2025-06-19 | — | — | WO | claimed |
| CN-119529308-A | Preparation method and application of ionic organic polymer catalyst | 昆明理工大学 | 2025-02-28 | — | — | CN | claimed |
| CN-118257133-A | Modification method for flame retardance and smoke suppression of zirconium-rich metal organic frame material on cotton fabric and flame retardance and smoke suppression cotton fabric | 海泰纺织（苏州）有限公司 | 2024-06-28 | — | — | CN | claimed |
| CN-118166549-A | Durable flame-retardant smoke-suppressing wool fabric based on Zr-MOF and preparation method thereof | 苏州大学 | 2024-06-11 | — | — | CN | claimed |
| CN-118007422-A | Method for improving anti-pilling performance of polyester-cotton fabric and electrostatic spinning pyrimidine compound modified polyester-cotton fabric | 华纺股份有限公司 | 2024-05-10 | — | — | CN | claimed |
| CN-114351455-B | Preparation method of crease-resistant silk fabric | 江苏华佳丝绸股份有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-113720926-B | Method for detecting impurity content in itraconazole intermediate 1 | 浙江致新医药科技有限公司 | 2023-05-09 | — | — | CN | claimed |
| WO-2023065714-A1 | PYRIMIDINE- AND CYANO GROUP-BASED BIFUNCTIONAL CONJUGATED MICROPOROUS POLYMER, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 浙江时间新材料有限公司 | 2023-04-27 | — | — | WO | claimed |
| CN-111233774-B | Amino pyrimidine compound | 鲁南制药集团股份有限公司 | 2023-04-14 | — | — | CN | claimed |
| CN-114604848-B | Nitrogen-rich graphdiyne and preparation method thereof | 武汉工程大学 | 2023-03-21 | — | — | CN | claimed |
| US-5089573-A | Using coordination catalysts | SHELL OIL COMPANY (US) | 1992-02-18 | — | — | US | claimed |
| EP-0470171-A1 | POLYMERIZATION PROCESS AND CATALYST. | SHELL OIL CO (US) | 1992-02-12 | — | — | EP | claimed |
| EP-0416319-A2 | Process for the preparation of sulfonylisoureas | BAYER AG (DE) | 1991-03-13 | — | — | EP | claimed |
| WO-1990012816-A1 | POLYMERIZATION PROCESS AND CATALYST | SHELL OIL COMPANY (US) | 1990-11-01 | — | — | WO | claimed |
| EP-0372623-A2 | Flame-resistant polycarbonates containing units deriving from halogenated pyrimidine compounds in their polymer chain | ENICHEM S.p.A. (IT) | 1990-06-13 | — | — | EP | claimed |
| EP-0318294-A2 | Dimeric and trimeric cationic dyes | NIPPON CHEMICAL WORKS CO., LTD (JP) | 1989-05-31 | — | — | EP | claimed |
| EP-0267675-A2 | Modified conjugated diene polymer and process for production thereof | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1988-05-18 | — | — | EP | claimed |
| EP-0063509-B1 | 2-PIPERAZINO-PYRIMIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE AS INTERMEDIATES IN THE MANUFACTURE OF MEDICAMENTS | PHARMUKA LABORATOIRES (FR) | 1985-02-20 | — | — | EP | claimed |
| US-4119460-A | FUSED CARBOCYCLIC RING COMPOUNDS, POLYPHENYL COMPOUNDS NITROGEN-FREE POLYARYLATED COMPOUNDS | EASTMAN KODAK COMPANY (US) | 1978-10-10 | — | — | US | claimed |
| US-3936441-A | Process for the production of water adsorbing but water-insoluble cellulose ethers | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-02-03 | — | — | US | claimed |