⚠ 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 | |
|---|---|---|---|---|
| Acetoacetic Acid SCHEMBL21402364 | 1.00 | — | — | |
| Acetoacetic Acid SCHEMBL1144213 | 1.00 | LDHA (0.57) | — | |
| Acetoacetic Acid SCHEMBL653110 | 1.00 | LDHA (0.57) | — | |
| Acetoacetic Acid SCHEMBL28972036 | 1.00 | LDHA (0.57) | — | |
| Acetoacetic Acid SCHEMBL10941648 | 1.00 | LDHA (0.57) | — | |
| Acetoacetic Acid SCHEMBL1406366 | 1.00 | LDHA (0.57) | — | |
| Acetoacetic Acid SCHEMBL649090 | 1.00 | LDHA (0.57) | — | |
| Acetoacetic Acid SCHEMBL31420005 | 1.00 | — | — | |
| Acetoacetic Acid SCHEMBL487189 | 0.96 | LDHA (0.53) | — | |
| Acetoacetic Acid SCHEMBL5610728 | 0.96 | — | — |
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 62697 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 |
|---|---|---|---|---|---|---|---|
| EP-4747627-A1 | METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS | Matterworks Inc (US) | 2026-05-27 | — | — | EP | claimed |
| CN-116948095-B | Polymer, ultra-high temperature oil well cement retarder, preparation method and application thereof, and cement slurry | CHINA NATIONAL PETROLEUM CORP. (CN) | 2026-05-26 | — | — | CN | claimed |
| CN-122080382-A | Isosorbide type polycarbonate and preparation method thereof | — | 2026-05-26 | — | — | CN | claimed |
| CN-122079161-A | Thermal decomposition preparation process of hafnium carbide precursor | — | 2026-05-26 | — | — | CN | claimed |
| WO-2026102602-A1 | COMPOSITION FOR DYEING KERATIN FIBERS | L'OREAL (FR) | 2026-05-21 | — | — | WO | claimed |
| WO-2026106998-A1 | PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA)-TARGETED POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITOR AND RELATED COMPOSITION AND METHOD OF USE | PURDUE RESEARCH FOUNDATION (US) | 2026-05-21 | — | — | WO | claimed |
| EP-4211146-B1 | SYNTHETIC CYCLIC PEPTIDE MIMETICS | UNIV BAR ILAN (IL) | 2026-05-20 | — | — | EP | claimed |
| CN-122060174-A | Bottle brush-shaped polymer filler capable of being dynamically crosslinked, and preparation method and application thereof | 广东工业大学 | 2026-05-19 | — | — | CN | claimed |
| CN-119684966-B | Hot-moisture dual-cured organic silicon sealant and preparation method thereof | 广州白云科技股份有限公司 | 2026-05-19 | — | — | CN | claimed |
| CN-119954748-B | Thiocarbonate-bridged dimer prodrugs, self-assembled nanoparticles thereof and uses thereof | 沈阳药科大学 | 2026-05-15 | — | — | CN | claimed |
| US-4032659-A | ADMINISTERING THIOSEMICARBAZONE DERIVATIVES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-06-28 | — | — | US | claimed |
| US-4022791-A | ANALGESICS, TRANQUILIZERS | PFIZER INC. (US) | 1977-05-10 | — | — | US | claimed |
| US-4001232-A | N-SUBSTITUTED PROPYLENE DIAMINE, ACETOACETIC ACID, ESTER, OR AMIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-04 | — | — | US | claimed |
| US-3998802-A | POLYAMIDES, CELLULOSE ESTERS, POLYESTERS, POLYACRYLONITRILES | BASF AKTIENGESELLSCHAFT (DT) | 1976-12-21 | — | — | US | claimed |
| US-3997664-A | STEROIDS, ESTROGENIC, PROGESTATIONAL | SANDOZ, INC. (US) | 1976-12-14 | — | — | US | claimed |
| US-3976488-A | COUPLER, EXTENDER, DISPERSION MEDIUM | MITA INDUSTRIAL COMPANY, LTD. (JA) | 1976-08-24 | — | — | US | claimed |
| US-3968107-A | Process for the manufacture of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one-2,2-dioxide | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-07-06 | — | — | US | claimed |
| US-3961887-A | Process for the printing of cellulose containing textile material | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-08 | — | — | US | claimed |
| US-3961884-A | Process for dyeing textile material of polyester fiber/cellulose blends | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-08 | — | — | US | claimed |
| US-3950412-A | Method for the production of haloacetoacetic acids | LONZA LTD. (CH) | 1976-04-13 | — | — | US | claimed |