⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8447015 | 0.81 | — | — | |
| SCHEMBL11440113 | 0.79 | — | — | |
| SCHEMBL28553889 | 0.79 | CA4 (0.33) | — | |
| Hydrogen Peroxide SCHEMBL29058738 | 0.72 | LMNA (0.35) | — | |
| SCHEMBL3340030 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL10689078 | 0.69 | — | — | |
| SCHEMBL9639844 | 0.68 | — | — | |
| SCHEMBL28423449 | 0.67 | — | — | |
| SCHEMBL28708623 | 0.65 | — | — | |
| SCHEMBL28708311 | 0.64 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114702471-B | Method for green synthesis of Pa Luo Weide intermediate Carlonganhydride | 大连万福制药有限公司 | 2024-05-10 | — | — | CN | claimed |
| CN-114702471-A | Method for green synthesis of paroxetine and adefovir dipivoxil intermediate caronic anhydride | 大连万福制药有限公司 | 2022-07-05 | — | — | CN | claimed |
| CN-109265348-B | Compound gelled pyrethrin for desert greening planting and manufacturing method thereof | 长乐巧通工业设计有限公司 | 2021-07-13 | — | — | CN | claimed |
| CN-1044807-C | Pyrethroid-high-efficiency cypermethrin | SHANGHAI FARM CHEMICAL INST (CN) | 1999-08-25 | — | — | CN | claimed |
| CN-114702471-B | Method for green synthesis of Pa Luo Weide intermediate Carlonganhydride | 大连万福制药有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-115403448-A | Isopentenol and preparation method thereof | 宿迁科思化学有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-114702471-A | Method for green synthesis of paroxetine and adefovir dipivoxil intermediate caronic anhydride | 大连万福制药有限公司 | 2022-07-05 | — | — | CN | disclosed |
| CN-114181079-A | Preparation method of efficient chlorenthrin | 江苏优嘉植物保护有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-109265348-B | Compound gelled pyrethrin for desert greening planting and manufacturing method thereof | 长乐巧通工业设计有限公司 | 2021-07-13 | — | — | CN | disclosed |
| CN-112430178-B | Production process of industrial isopentenol | 天津安德胜科技服务有限公司 | 2021-06-22 | — | — | CN | disclosed |
| CN-1044807-C | Pyrethroid-high-efficiency cypermethrin | SHANGHAI FARM CHEMICAL INST (CN) | 1999-08-25 | — | — | CN | disclosed |
| US-5942387-A | Combinatorial process for preparing substituted thiophene libraries | ELI LILLY AND COMPANY (US) | 1999-08-24 | — | — | US | disclosed |
| EP-0825164-A2 | Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides | ELI LILLY AND COMPANY (US) | 1998-02-25 | — | — | EP | disclosed |