⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8494474 | 0.80 | — | — | |
| SCHEMBL6535731 | 0.77 | KCNH2 (0.33) | — | |
| SCHEMBL9452523 | 0.74 | — | — | |
| SCHEMBL1378978 | 0.74 | — | — | |
| SCHEMBL2993 | 0.74 | — | — | |
| SCHEMBL4893590 | 0.74 | — | — | |
| SCHEMBL185154 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28158524 | 0.72 | — | — | |
| SCHEMBL2649459 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL2188578 | 0.71 | CYP1A1 (0.33) | — |
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 1441 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240239775-A1 | FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | BEIJING BEST PATHWAY MANAGEMENT CONSULTING CENTER (LIMITED PARTNERSHIP) (CN) | 2024-07-18 | — | — | US | claimed |
| US-20240228506-A1 | RIPK1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC (US) | 2024-07-11 | — | — | US | claimed |
| WO-2024145505-A1 | PYRIMIDINE CARBOXAMIDE COMPOUNDS | ACRIVON THERAPEUTICS, INC. (US) | 2024-07-04 | — | — | WO | claimed |
| EP-4373808-A1 | GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS | Institut national de la santé et de la recherche médicale (INSERM) (FR) | 2024-05-29 | — | — | EP | claimed |
| CN-118085585-A | Modified silicon-containing aryne resin and preparation method and application thereof | 哈尔滨玻璃钢研究院有限公司 | 2024-05-28 | — | — | CN | claimed |
| CN-118076585-A | Gram negative bacteria efflux pump inhibitors | 国家医疗保健研究所 | 2024-05-24 | — | — | CN | claimed |
| CN-118063385-A | Hapten for synthesizing cannabinoid ADB-BUTINACA, monoclonal antibody and application thereof | 中国药科大学 | 2024-05-24 | — | — | CN | claimed |
| EP-4329766-A1 | RIPK1 INHIBITORS AND METHODS OF USE | Merck Sharp & Dohme LLC (US) | 2024-03-06 | — | — | EP | claimed |
| EP-4324825-A1 | FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | Beijing Best Pathway Management Consulting Center (Limited Partnership) (CN) | 2024-02-21 | — | — | EP | claimed |
| EP-3901147-B1 | ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF | BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) | 2023-11-22 | — | — | EP | claimed |
| CN-1025677-C | Novel heterocyclic pesticidal compounds | WELLCOME FOUND (GB) | 1994-08-17 | — | — | CN | claimed |
| US-5322917-A | Fluorine-containing diamines polyamides, and polyimides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-06-21 | — | — | US | claimed |
| EP-0601063-A1 | FLUORINE-CONTAINING DIAMINES, POLYAMIDES, AND POLYIMIDES. | DU PONT (US) | 1994-06-15 | — | — | EP | claimed |
| US-5286841-A | Fluorine-containing diamines, polyamides, and polyimides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-02-15 | — | — | US | claimed |
| WO-1993004033-A1 | FLUORINE-CONTAINING DIAMINES, POLYAMIDES, AND POLYIMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-03-04 | — | — | WO | claimed |
| EP-0503079-A1 | PYRIDAZINONE-SUBSTITUTED ETHYNYLPHENYL DERIVATIVE AND REMEDY FOR CIRCULATORY ORGAN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1992-09-16 | — | — | EP | claimed |
| EP-0461264-A1 | ETHYNYLPHENYL DERIVATIVE, PRODUCTION THEREOF, AND REMEDY FOR DISEASES OF CIRCULATORY ORGANS CONTAINING THE SAME AS ACTIVE INGREDIENT | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1991-12-18 | — | — | EP | claimed |
| US-4701514-A | THERMALLY CROSSLINKABLE; TELECHELIC POLYMERS; HEAT RESISTANT MOLDINGS | B.F. GOODRICH COMPANY (US) | 1987-10-20 | — | — | US | claimed |
| US-4497951-A | Ethynyl-phenylene-substituted-1,3,5-triazine derivatives and process for their production | HUGHES AIRCRAFT COMPANY (US) | 1985-02-05 | — | — | US | claimed |
| EP-0030922-B1 | ETHINYL-PHENYL UREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | CIBA-GEIGY AG (CH) | 1984-07-04 | — | — | EP | claimed |