⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1137959 | 1.00 | — | — | |
| SCHEMBL1774518 | 0.79 | AKR1C3 (0.42) | — | |
| SCHEMBL1774515 | 0.79 | AKR1C3 (0.42) | — | |
| SCHEMBL1765494 | 0.79 | CD81 (0.44) | — | |
| SCHEMBL129059 | 0.79 | CD81 (0.44) | — | |
| SCHEMBL449325 | 0.78 | — | — | |
| SCHEMBL449323 | 0.78 | — | — | |
| SCHEMBL4558754 | 0.77 | — | — | |
| SCHEMBL17819 | 0.77 | — | — | |
| SCHEMBL21943 | 0.77 | — | — |
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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113511971-B | 4-halogenated-2-methyl-2-butenoic acid ethyl ester and preparation method thereof | 上虞新和成生物化工有限公司 | 2024-01-30 | — | — | CN | claimed |
| US-20260116838-A1 | NEOCARZILIN DERIVATIVES AS ANTIMETASTATIC AGENTS | PURDUE RESEARCH FOUNDATION (US) | 2026-04-30 | — | — | US | disclosed |
| CN-118754805-A | Preparation method of crocetin | 八叶草健康产业研究院(厦门)有限公司 | 2024-10-11 | — | — | CN | disclosed |
| EP-3383377-B1 | COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE | PROCTER & GAMBLE (US) | 2024-04-17 | — | — | EP | disclosed |
| CN-113511971-B | 4-halogenated-2-methyl-2-butenoic acid ethyl ester and preparation method thereof | 上虞新和成生物化工有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-116082154-A | Method for preparing 4-halogeno-2-methyl-2-butenoate by one-pot method | 万华化学集团股份有限公司 | 2023-05-09 | — | — | CN | disclosed |
| EP-3980126-A1 | BENZO[H][1,6] NAPHTHYRIDIN-2(1H)-ONES AS BMX INHIBITORS, FOR USE AGAINST CANCER | Instituto de Medicina Molecular João Lobo Antunes (PT) | 2022-04-13 | — | — | EP | disclosed |
| CN-113511971-A | 4-halogenated-2-methyl-2-ethyl crotonate and preparation method thereof | 上虞新和成生物化工有限公司 | 2021-10-19 | — | — | CN | disclosed |
| EP-3778571-A1 | (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE | Bioway, Inc. (KR) | 2021-02-17 | — | — | EP | disclosed |
| WO-2020245430-A1 | BENZO[H][1,6] NAPHTHYRIDIN-2(1H)-ONES AS BMX INHIBITORS, FOR USE AGAINST CANCER | INSTITUTO DE MEDICINA MOLECULAR JOAO LOBO ANTUNES (PT) | 2020-12-10 | — | — | WO | disclosed |
| WO-1991000274-A1 | N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED TRP-PHE- AND PHENETHYLAMINE DERIVATIVES | WARNER-LAMBERT COMPANY (US) | 1991-01-10 | — | — | WO | disclosed |
| EP-0405537-A1 | N-substituted cycloalkyl and polycycloalkyl alpha-substituted Trp-Phe- and phenethylamine derivatives | WARNER-LAMBERT COMPANY (US) | 1991-01-02 | — | — | EP | disclosed |
| EP-0232912-A1 | Hydroxamic acids of 7-oxabicycloheptane substituted ethers | E.R. Squibb & Sons, Inc. (US) | 1987-08-19 | — | — | EP | disclosed |
| US-4654366-A | ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPSORIATIC | E. R. SQUIBB & SONS, INC. (US) | 1987-03-31 | — | — | US | disclosed |
| US-4524151-A | 7-Oxabicycloheptane thio ethers useful as cardiovascular agents | E. R. SQUIBB & SONS, INC. (US) | 1985-06-18 | — | — | US | disclosed |
| US-4469697-A | ANTIDEPRESSANTS | BEECHAM GROUP P.L.C. (GB) | 1984-09-04 | — | — | US | disclosed |
| EP-0055546-B1 | PENTACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE | BEECHAM GROUP PLC (GB) | 1984-08-01 | — | — | EP | disclosed |
| US-4442098-A | CENTRAL NERVOUS SYSTEM DISORDERS | BEECHAM GROUP LIMITED (GB) | 1984-04-10 | — | — | US | disclosed |
| EP-0090552-A2 | Pentacyclic compounds | BEECHAM GROUP PLC (GB) | 1983-10-05 | — | — | EP | disclosed |
| EP-0055546-A1 | Pentacyclic compounds, processes for their preparation and their use | BEECHAM GROUP PLC (GB) | 1982-07-07 | — | — | EP | disclosed |