⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8795907 | 0.96 | — | — | |
| SCHEMBL27884818 | 0.96 | — | — | |
| SCHEMBL28331445 | 0.85 | CYP2A6 (0.37) | — | |
| SCHEMBL453855 | 0.81 | METAP2 (0.33) | — | |
| SCHEMBL4573482 | 0.74 | LTA4H (0.41) | — | |
| SCHEMBL4390804 | 0.74 | CYP3A4 (0.39) | — | |
| SCHEMBL67142 | 0.69 | — | — | |
| SCHEMBL10597056 | 0.69 | HDAC8 (0.50) | — | |
| SCHEMBL196583 | 0.67 | ALDH1A1 (0.33) | — | |
| Fluoride SCHEMBL27564048 | 0.65 | HDAC8 (0.47) | — |
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 7864 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 |
|---|---|---|---|---|---|---|---|
| CN-118344695-A | Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof | 重庆理工大学 | 2024-07-16 | — | — | CN | claimed |
| CN-116082204-B | Beta-sulfinyl alkenyl sulfone compound and preparation method and application thereof | 华南师范大学 | 2024-07-12 | — | — | CN | claimed |
| CN-117143099-B | Evodiamine derivative, preparation method thereof and application of evodiamine derivative as PGAM1 inhibitor | 陕西中医药大学 | 2024-07-09 | — | — | CN | claimed |
| WO-2024130440-A1 | HEADPIECES FOR DNA-ENCODED CHEMICAL LIBRARIES | UNIVERSITE DE MONTREAL (CA) | 2024-06-27 | — | — | WO | claimed |
| CN-118239884-A | Pyridine alkyl phenyl ether compound and preparation method and application thereof | 浙江理工大学 | 2024-06-25 | — | — | CN | claimed |
| CN-118221624-A | Benzofuran spiro bicyclo [2.1.1] hexane derivative and synthesis method thereof | 浙江师范大学 | 2024-06-21 | — | — | CN | claimed |
| WO-2024115549-A1 | ARYL- AND HETEROARYL-SULFONAMIDE DERIVATIVES AS CCR8 MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2024-06-06 | — | — | WO | claimed |
| CN-118125957-A | Cyclopentylamine compound with novel structure and preparation method and application thereof | 遵义医科大学 | 2024-06-04 | — | — | CN | claimed |
| CN-118063353-A | Chiral nitroxide compound and preparation method and application thereof | 贵州大学 | 2024-05-24 | — | — | CN | claimed |
| CN-116478181-B | Catalytic synthesis method of chiral oxazoline compound | 中国海洋大学 | 2024-05-17 | — | — | CN | claimed |
| US-4166827-A | DENTAL PLAQUE | COOPER LABORATORIES, INC. (US) | 1979-09-04 | — | — | US | claimed |
| US-4157445-A | Method for the preparation of quinoline and aniline compounds | UNION CARBIDE CORPORATION (US) | 1979-06-05 | — | — | US | claimed |
| US-4123541-A | ANTIINFLAMMATORY AGENTS | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) | 1978-10-31 | — | — | US | claimed |
| US-4115448-A | Carbamylguanidine antimicrobial compounds | COOPER LABORATORIES, INC. (US) | 1978-09-19 | — | — | US | claimed |
| US-4110328-A | Bis-carbamylguanidinoazaalkane antimicrobial compounds | COOPER LABORATORIES, INC. (US) | 1978-08-29 | — | — | US | claimed |
| US-4101660-A | ANTIIFLAMMATORY AGENTS | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) | 1978-07-18 | — | — | US | claimed |
| US-4090020-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1978-05-16 | — | — | US | claimed |
| US-4046757-A | 2-Optionally substituted alkyl-and phenylsulfonylphenyl-azo-phenyl dyes and a process for their synthesis | SANDOZ LTD. (CH) | 1977-09-06 | — | — | US | claimed |
| US-4022962-A | DENTAL PLAQUE INHIBITORS | COOPER LABORATORIES, INC. (US) | 1977-05-10 | — | — | US | claimed |
| US-3971784-A | ANTIMETABOLITES | MITSUI PHARMACEUTICALS, INCORPORATED (JA) | 1976-07-27 | — | — | US | claimed |