⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL11581320 | 0.92 | ALDH1A1 (0.43) | — | |
| SCHEMBL745482 | 0.83 | ALDH1A1 (0.54) | — | |
| SCHEMBL17297099 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL20017300 | 0.80 | EPHX1 (0.57) | — | |
| SCHEMBL20161938 | 0.79 | — | — | |
| SCHEMBL19315826 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL12207153 | 0.77 | TAS1R3 (0.42) | — | |
| SCHEMBL20645143 | 0.77 | — | — | |
| SCHEMBL21568355 | 0.77 | TAS1R3 (0.42) | — | |
| SCHEMBL28791993 | 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 452 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0779888-B1 | PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | BOEHRINGER INGELHEIM PHARMA (DE) | 1999-04-28 | — | — | EP | claimed |
| US-5707989-A | ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES | DR. KARL THOMAE GMBH (DE) | 1998-01-13 | — | — | US | claimed |
| JP-60067471-A | — | — | None | — | — | JP | disclosed |
| US-20240228500-A1 | THERAPEUTIC CONJUGATES | TOTUS MEDICINES INC. | 2024-07-11 | — | — | US | disclosed |
| US-20240228500-A1 | THERAPEUTIC CONJUGATES | TOTUS MEDICINES INC. | 2024-07-11 | — | — | US | disclosed |
| EP-3749355-B1 | INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME | UNIV MIAMI (US) | 2024-07-03 | — | — | EP | disclosed |
| US-RE50030-E1 | Methods to treat lymphoplasmacytic lymphoma | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2024-07-02 | — | — | US | disclosed |
| WO-2024092356-A1 | UREMIC METABOLITE-ZWITTERIONIC HEMOCOMPATIBLE DIALYSIS MEMBRANES | UNIVERSITY OF SASKATCHEWAN (CA) | 2024-05-10 | — | — | WO | disclosed |
| WO-2024059661-A1 | N-(BENZHYDRYL)CYCLOALKYLCARBOXAMIDE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF | MAZE THERAPEUTICS, INC. (US) | 2024-03-21 | — | — | WO | disclosed |
| WO-2024040497-A1 | ANTIVIRAL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 清华大学 | 2024-02-29 | — | — | WO | disclosed |
| US-11793885-B2 | Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders | IMMUNOGEN, INC. (US) | 2023-10-24 | — | — | US | disclosed |
| US-5147857-A | Enzyme inhibitors | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1992-09-15 | — | — | US | disclosed |
| EP-0446751-A1 | Glycolic acid derivatives | MERCK PATENT GmbH (DE) | 1991-09-18 | — | — | EP | disclosed |
| US-5039759-A | Water borne high solids coating compositions | TECHNOLOGY CORPORATION UNITED CARBIDE CHEMICALS AND PLASTICS (US) | 1991-08-13 | — | — | US | disclosed |
| EP-0212380-B1 | AQUEOUS HIGH SOLIDS COATING COMPOSITIONS | UNION CARBIDE CORPORATION (US) | 1990-09-19 | — | — | EP | disclosed |
| EP-0212380-A2 | Aqueous high solids coating compositions | UNION CARBIDE CORPORATION (US) | 1987-03-04 | — | — | EP | disclosed |
| EP-0211359-A1 | High solids coating compositions | UNION CARBIDE CORPORATION (US) | 1987-02-25 | — | — | EP | disclosed |
| JP-S6067471-A | TETRAHYDRO-3-METHYL-5-ISOPROPYL-4H-1,3,5-OXADIAZIN-4-ONE | NEOS CO LTD | 1985-04-17 | — | — | JP | disclosed |
| US-4056527-A | HERBICIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-01 | — | — | US | disclosed |
| US-3935199-A | ANALEPTIC | MEAD JOHNSON & COMPANY (US) | 1976-01-27 | — | — | US | disclosed |