⚠ 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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL10939332 | 1.00 | CYP2A6 (1.00) | — | |
| SCHEMBL8469408 | 1.00 | CYP2A6 (1.00) | — | |
| SCHEMBL28981619 | 0.97 | CYP2A6 (0.94) | — | |
| SCHEMBL585055 | 0.97 | CYP2A6 (0.94) | — | |
| Iodide SCHEMBL34461933 | 0.97 | CYP2A6 (0.94) | — | |
| SCHEMBL586152 | 0.97 | CYP2A6 (0.94) | — | |
| SCHEMBL586330 | 0.97 | CYP2A6 (0.94) | — | |
| Hydrochloric Acid SCHEMBL14686576 | 0.97 | CYP2A6 (0.94) | — | |
| SCHEMBL28788188 | 0.97 | — | — | |
| Water SCHEMBL28202451 | 0.97 | CYP2A6 (0.94) | — |
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 30011 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-122071445-A | Aldol condensation method | 中国科学院大连化学物理研究所 | 2026-05-22 | — | — | CN | claimed |
| CN-122071789-A | Composite thermal-insulating coating containing rare earth oxide and preparation method and application thereof | 有研稀土新材料股份有限公司 | 2026-05-22 | — | — | CN | claimed |
| EP-4744766-A1 | MICROCAPSULE, PREPARATION METHOD THEREFOR, AND USE THEREOF | China Petroleum & Chemical Corporation (CN) | 2026-05-20 | — | — | EP | claimed |
| EP-4745197-A1 | ASPHALT ADDITIVE, AND ASPHALT COMPOSITION AND PREPARATION METHOD THEREFOR | China Petroleum & Chemical Corporation (CN) | 2026-05-20 | — | — | EP | claimed |
| CN-122061121-A | Preparation method and application of Ru modified PtAl coating for nickel-based single crystal superalloy | 长安大学 | 2026-05-19 | — | — | CN | claimed |
| CN-122057481-A | Acylhydrazone-carbon nanotube gel and preparation method and application thereof | 广东海洋大学 | 2026-05-19 | — | — | CN | claimed |
| CN-120189965-B | Nonmetal nitrogen doped lignin-based porous carbon material, preparation method thereof and application of nonmetal nitrogen doped lignin-based porous carbon material in catalyzing aldehyde ammoxidation to synthesize nitrile | 广东工业大学 | 2026-05-15 | — | — | CN | claimed |
| US-12624144-B2 | Method for preparing hollow covalent organic framework materials | ZHEJIANG UNIVERSITY (CN) | 2026-05-12 | — | — | US | claimed |
| EP-4429447-B1 | TEMPLATING LAYERS FOR SPIN ORBIT TORQUE ASSISTED SWITCHING OF PERPENDICULARLY MAGNETIZED HEUSLER FILMS | SAMSUNG ELECTRONICS CO LTD (KR) | 2026-05-06 | — | — | EP | claimed |
| EP-4737691-A2 | METHOD FOR INSPECTING COOLING APERTURES IN A TURBINE ENGINE COMPONENT | RTX Corporation (US) | 2026-05-06 | — | — | EP | claimed |
| US-3998707-A | Cadmium electroplating process and bath therefor | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1976-12-21 | — | — | US | claimed |
| US-3987026-A | POLYESTERS | CIBA-GEIGY CORPORATION (US) | 1976-10-19 | — | — | US | claimed |
| US-3981909-A | AUTOOXIDIZATION OF P-TOLUALDEHYDE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) | 1976-09-21 | — | — | US | claimed |
| US-3976702-A | OXIDATION OF ALKYL-AROMATIC ALDEHYDES WITH HYDROGEN PEROXIDE IN HYDROGEN FLUORIDE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) | 1976-08-24 | — | — | US | claimed |
| US-3961093-A | ORGANOLEPTIC PROPERTIES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-06-01 | — | — | US | claimed |
| US-3956394-A | Process for purifying p-tolualdehyde | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) | 1976-05-11 | — | — | US | claimed |
| US-3951993-A | HYPOTENSIVE, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-20 | — | — | US | claimed |
| US-3948998-A | FROM TOLUENE AND CARBON MONOXIDE, HYDROGEN FLUORIDE, BORON TRIFLUORIDE CATALYST | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) | 1976-04-06 | — | — | US | claimed |
| US-3946067-A | Process for the preparation of aromatic aldehydes | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1976-03-23 | — | — | US | claimed |
| US-3933827-A | CYTOSTATIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1976-01-20 | — | — | US | claimed |