⚠ 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 SCHEMBL18526747 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL25288112 | 0.96 | HIF1A (0.33) | — | |
| Hydrochloric Acid SCHEMBL564662 | 0.96 | — | — | |
| SCHEMBL2621588 | 0.87 | — | — | |
| SCHEMBL256778 | 0.79 | — | — | |
| Hydrogen Sulfide SCHEMBL10340661 | 0.76 | — | — | |
| SCHEMBL10340663 | 0.76 | — | — | |
| SCHEMBL17556594 | 0.70 | CYP2D6 (0.32) | — | |
| SCHEMBL256774 | 0.65 | — | — | |
| Aziridine SCHEMBL2267 | 0.62 | — | — |
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 14752 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 |
|---|---|---|---|---|---|---|---|
| US-20250295683-A1 | HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2025-09-25 | — | — | US | claimed |
| EP-4619406-A1 | TRICYCLIC COMPOUNDS | Schrödinger, Inc. (US) | 2025-09-24 | — | — | EP | claimed |
| US-20250171447-A1 | ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF | MERCK SHARP & DOHME LLC (US) | 2025-05-29 | — | — | US | claimed |
| US-20250161462-A1 | ENDOSOMAL CLEAVABLE HYDROPHILIC-MASKED CATIONIC CHARGE DELIVERY VEHICLES | UNIV CALIFORNIA (US) | 2025-05-22 | — | — | US | claimed |
| EP-4527838-A1 | HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2025-03-26 | — | — | EP | claimed |
| US-20250084416-A1 | TARGETING OF XKR8 IN THERAPIES | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION | 2025-03-13 | — | — | US | claimed |
| WO-2023221797-A9 | HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 四川科伦博泰生物医药股份有限公司 | 2025-02-13 | — | — | WO | claimed |
| EP-3924340-B1 | INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | MERCK PATENT GMBH (DE) | 2025-01-29 | — | — | EP | claimed |
| US-20240424131-A1 | TARGETING NANOPARTICLES FOR THERAPY | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION | 2024-12-26 | — | — | US | claimed |
| EP-4479056-A1 | ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF | Merck Sharp & Dohme LLC (US) | 2024-12-25 | — | — | EP | claimed |
| US-4579737-A | ANTITUMOR AGENTS | BRISTOL-MYERS COMPANY (US) | 1986-04-01 | — | — | US | claimed |
| EP-0171037-A2 | 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof | STERLING WINTHROP INC. (US) | 1986-02-12 | — | — | EP | claimed |
| US-4567256-A | MITOMYCINS | BRISTOL-MYERS COMPANY (US) | 1986-01-28 | — | — | US | claimed |
| US-4518596-A | Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines | DR. KARL THOMAE GMBH (DE) | 1985-05-21 | — | — | US | claimed |
| US-4487769-A | ANTITUMOR AGENTS;MITOMYCIN DERIVATIVES | BRISTOL-MYERS COMPANY (US) | 1984-12-11 | — | — | US | claimed |
| EP-0023559-B1 | 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1984-09-19 | — | — | EP | claimed |
| US-4388315-A | TAUTOMERIC PYRIMIDINE DERIVATIVES | BOEHRINGER INGELEHEIM GMBH (DE) | 1983-06-14 | — | — | US | claimed |
| US-4288437-A | ANTICONVULSANTS | BOEHRINGER INGELHEIM GMBH (DE) | 1981-09-08 | — | — | US | claimed |
| US-4241056-A | ANTIBIOTICS | BOEHRINGER INGELHEIM GMBH (DE) | 1980-12-23 | — | — | US | claimed |
| US-3956492-A | SEDATIVES, MUSCLE RELAXANTS, TRANQUILIZERS, ANTICONVULSANTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-05-11 | — | — | US | claimed |