⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28768656 | 0.97 | — | — | |
| SCHEMBL2092740 | 0.85 | METAP2 (0.41) | — | |
| SCHEMBL5535322 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL170090 | 0.77 | — | — | |
| SCHEMBL150818 | 0.77 | — | — | |
| Formaldehyde SCHEMBL22288207 | 0.75 | FAAH (0.44) | — | |
| Fluoride SCHEMBL28326051 | 0.74 | IDO1 (0.44) | — | |
| Hydrogen Sulfide SCHEMBL28251643 | 0.74 | — | — | |
| SCHEMBL28167469 | 0.72 | HSD17B1 (0.39) | — | |
| Methyl Alcohol SCHEMBL28059397 | 0.69 | APP (0.43) | — |
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 2112 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-2024113354-A1 | CULTURE MEDIUM, COATING MATRIX AND METHOD FOR EXPANDING MIDBRAIN DOPAMINERGIC PROGENITOR CELLS | NUWACELL BIOTECHNOLOGIES CO., LTD. (CN) | 2024-06-06 | — | — | WO | claimed |
| WO-2024113352-A1 | METHODS AND COMPOSITIONS FOR DIFFERENTIATION OF PLURIPOTENT STEM CELLS AND DERIVED HEMATOPOIETIC LINEAGE CELLS | NUWACELL BIOTECHNOLOGIES CO., LTD. (CN) | 2024-06-06 | — | — | WO | claimed |
| WO-2024113358-A1 | METHODS AND COMPOSITIONS FOR DIFFERENTIATION OF PLURIPOTENT STEM CELLS AND DERIVED NATURAL KILLER CELLS | NUWACELL BIOTECHNOLOGIES CO., LTD. (CN) | 2024-06-06 | — | — | WO | claimed |
| CN-116350649-A | Pharmaceutical composition for preventing and/or treating cholangitis or liver diseases caused by cholangitis | 未来制药有限公司 | 2023-06-30 | — | — | CN | claimed |
| CN-112961114-B | 2-substituted rupestonic acid isoxazolamide derivative and preparation method and application thereof | 中国科学院新疆理化技术研究所 | 2023-06-09 | — | — | CN | claimed |
| EP-4186514-A1 | PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CHOLANGITIS OR LIVER DISEASE CAUSED BY CHOLANGITIS COMPRISING ADENOSINE DERIVATIVE | Future Medicine Co., Ltd. (KR) | 2023-05-31 | — | — | EP | claimed |
| EP-4178959-A1 | NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF | Univerzita Palackého v Olomouci (CZ) | 2023-05-17 | — | — | EP | claimed |
| US-11643413-B2 | 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2023-05-09 | — | — | US | claimed |
| US-20230131260-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2023-04-27 | — | — | US | claimed |
| WO-2023286963-A1 | PHARMACEUTICAL COMPOSITION INCLUDING ADENOSINE DERIVATIVE FOR PREVENTING OR TREATING CHOLANGITIS OR CHOLANGITIS-INDUCED LIVER DISEASE | 퓨쳐메디신 주식회사 | 2023-01-19 | — | — | WO | claimed |
| WO-1997042206-A1 | 6-O-SUBSTITUTED ERYTHROMYCIN COMPOUNDS AND METHOD FOR MAKING SAME | ABBOTT LABORATORIES (US) | 1997-11-13 | — | — | WO | claimed |
| US-5629319-A | QUINDOLINE ALKALOIDS | SHAMAN PHARMACEUTICALS, INC. (US) | 1997-05-13 | — | — | US | claimed |
| US-5616578-A | Method of treating human immunodeficiency virus infection using a cyclic protease inhibitor in combination with a reverse transcriptase inhibitor | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-04-01 | — | — | US | claimed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | claimed |
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | claimed |
| US-5559110-A | HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-24 | — | — | US | claimed |
| WO-1996009823-A9 | HYPOGLYCEMIC AGENT FROM CRYPTOLEPIS | — | 1996-05-23 | — | — | WO | claimed |
| WO-1996009823-A1 | HYPOGLYCEMIC AGENT FROM CRYPTOLEPIS | SHAMAN PHARMACEUTICALS, INC. (US) | 1996-04-04 | — | — | WO | claimed |
| EP-0070198-B1 | RADIATION-SENSITIVE COMPOSITION AND PATTERN-FORMATION METHOD USING THE SAME | Hitachi, Ltd. (JP) | 1985-06-19 | — | — | EP | claimed |
| US-4332815-A | Insecticidal perhaloalkylvinylcyclopropanecarboxylates | FMC CORPORATION (US) | 1982-06-01 | — | — | US | claimed |