⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3326322 | 0.97 | — | — | |
| Water SCHEMBL28759526 | 0.97 | — | — | |
| SCHEMBL7611159 | 0.79 | — | — | |
| SCHEMBL7848633 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL7848630 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL825979 | 0.78 | ALDH1A1 (0.67) | — | |
| SCHEMBL230634 | 0.78 | ALDH1A1 (0.67) | — | |
| SCHEMBL14152614 | 0.78 | ALDH1A1 (0.67) | — | |
| SCHEMBL29020705 | 0.77 | TSHR (0.33) | — | |
| Water SCHEMBL29104779 | 0.76 | KEAP1 (0.30) | — |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-215064757-U | Liquid level meter of reaction kettle for oxo-synthesis of acetic anhydride and oxo-synthesis of acetic anhydride reaction system | 兖矿鲁南化工有限公司 | 2021-12-07 | — | — | CN | claimed |
| CN-112794801-A | Method for inhibiting byproduct tar in low-pressure carbonyl synthesis acetic anhydride process | 山东华鲁恒升化工股份有限公司 | 2021-05-14 | — | — | CN | claimed |
| CN-105566426-A | Synthesis method for 16alpha-hydroxyprednisolone | SHANDONG SAITUO BIOTECHNOLOGY CO LTD | 2016-05-11 | — | — | CN | claimed |
| US-4543428-A | Production of a hexahydronaphthalenone compound | OREGON GRADUATE CENTER FOR STUDY & RESEARCH (US) | 1985-09-24 | — | — | US | claimed |
| US-4515720-A | Method of synthesizing a late-stage intermediate to 11-deoxydaunorubicin and 11-deoxyadriamycin, and two precursors to the object intermediate | OREGON GRADUATE CENTER FOR STUDY & RESEARCH (US) | 1985-05-07 | — | — | US | claimed |
| CN-121775768-A | Separation system and recovery method for tar of oxo acetic anhydride | 兖矿鲁南化工有限公司 | 2026-04-03 | — | — | CN | disclosed |
| CN-215064757-U | Liquid level meter of reaction kettle for oxo-synthesis of acetic anhydride and oxo-synthesis of acetic anhydride reaction system | 兖矿鲁南化工有限公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-215064757-U | Liquid level meter of reaction kettle for oxo-synthesis of acetic anhydride and oxo-synthesis of acetic anhydride reaction system | 兖矿鲁南化工有限公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-106892812-B | Process for synthesizing acetic anhydride by low-pressure carbonyl | 兖矿鲁南化工有限公司 | 2020-02-28 | — | — | CN | disclosed |
| CN-105828787-B | Shaping keratin fibres using oxoacetic acids and/or derivatives thereof | 宝洁公司 | 2019-07-26 | — | — | CN | disclosed |
| CN-107106438-A | Process for shaping keratin fibres | 宝洁公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-104448010-B | A kind of instant polyanion cellulose and preparation method thereof | 上海长光企业发展有限公司 | 2016-09-07 | — | — | CN | disclosed |
| WO-1993005039-A1 | 5-HYDROXY-2-PYRIMIDINYLMETHYLENE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS | WARNER-LAMBERT COMPANY (US) | 1993-03-18 | — | — | WO | disclosed |
| US-5187175-A | 2-carbonyl substituted-5-hydroxy-1, 3-pyrimidines as antiinflammatory agents | WARNER-LAMBERT COMPANY (US) | 1993-02-16 | — | — | US | disclosed |
| US-5177079-A | Antiallergen, antiulcer | WARNER-LAMBERT COMPANY (US) | 1993-01-05 | — | — | US | disclosed |
| WO-1992013844-A1 | SUBSTITUTED 4,6-DI-TERTIARY-BUTYL-5-HYDROXY-PYRIMIDINES | WARNER-LAMBERT COMPANY (US) | 1992-08-20 | — | — | WO | disclosed |
| WO-1992013536-A1 | 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS | WARNER-LAMBERT COMPANY (US) | 1992-08-20 | — | — | WO | disclosed |
| US-4692547-A | VAPOR PHASE CATALYTIC OXYDEHYDROGENATION, THEN ALCOHOLYSIS | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-09-08 | — | — | US | disclosed |
| US-4543428-A | Production of a hexahydronaphthalenone compound | OREGON GRADUATE CENTER FOR STUDY & RESEARCH (US) | 1985-09-24 | — | — | US | disclosed |
| US-4156093-A | Process for increasing the production or recovery yields of hemiacetal-esters of glyoxylic acid | HOECHST FRANCE (FR) | 1979-05-22 | — | — | US | disclosed |