⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1783743 | 1.00 | — | — | |
| SCHEMBL28454751 | 0.90 | ALDH1A1 (0.50) | — | |
| SCHEMBL31497244 | 0.90 | ALDH1A1 (0.50) | — | |
| SCHEMBL31497248 | 0.90 | ALDH1A1 (0.50) | — | |
| SCHEMBL1783811 | 0.85 | ALDH1A1 (0.45) | — | |
| SCHEMBL1783808 | 0.85 | ALDH1A1 (0.45) | — | |
| SCHEMBL1785858 | 0.83 | ALDH1A1 (0.48) | — | |
| SCHEMBL31132206 | 0.83 | ALDH1A1 (0.48) | — | |
| SCHEMBL1782402 | 0.83 | TRPA1 (0.39) | — | |
| SCHEMBL1782401 | 0.83 | TRPA1 (0.39) | — |
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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122036473-A | Process for preparing octanal | 中国石油化工股份有限公司 | 2026-05-15 | — | — | CN | claimed |
| CN-122032561-A | Nickel-based catalyst and preparation method and application thereof | 中国石油化工股份有限公司 | 2026-05-15 | — | — | CN | claimed |
| CN-119926392-A | Liquid phase hydrogenation catalyst and preparation method and application method thereof | 中国石油化工股份有限公司 | 2025-05-06 | — | — | CN | claimed |
| CN-119930396-A | Process for producing isooctyl alcohol and application thereof | 中国石油化工股份有限公司 | 2025-05-06 | — | — | CN | claimed |
| CN-119857521-A | Catalyst for preparing 2-ethylhexanol and preparation method and application thereof | 中国石油化工股份有限公司 | 2025-04-22 | — | — | CN | claimed |
| CN-119800383-A | Method for simultaneously synthesizing isooctyl aldehyde and isooctanoic acid by paired electrolysis | 万华化学集团股份有限公司 | 2025-04-11 | — | — | CN | claimed |
| CN-118847167-A | Supported NiCu alloy nanoparticle catalyst, preparation method and application thereof in catalytic hydrogenation of alkene or aldehyde | 北京化工大学 | 2024-10-29 | — | — | CN | claimed |
| CN-221514435-U | Novel isooctanol production device | 中国石油化工股份有限公司 | 2024-08-13 | — | — | CN | claimed |
| CN-116041159-B | Method for preparing isooctyl aldehyde | 中国石油化工股份有限公司 | 2024-08-02 | — | — | CN | claimed |
| CN-115028524-B | Method for preparing isooctyl aldehyde by crotonaldehyde one-step method | 万华化学集团股份有限公司 | 2023-12-19 | — | — | CN | claimed |
| CN-116041159-A | Method for preparing isooctyl aldehyde | 中国石油化工股份有限公司 | 2023-05-02 | — | — | CN | claimed |
| CN-115990520-A | Composite carrier for supported catalyst, palladium/composite carrier catalyst, and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-04-21 | — | — | CN | claimed |
| CN-111620772-B | Production process for preparing isooctanoic acid by using isooctene aldehyde as raw material | 山东理工大学 | 2023-04-18 | — | — | CN | claimed |
| CN-111054437-B | Catalyst for preparing isooctylaldehyde through selective hydrogenation of isooctenal, preparation method and application | 中国石油化工股份有限公司 | 2022-12-09 | — | — | CN | claimed |
| CN-112851498-B | Preparation method and application of stannous isooctenoate | 潍坊加易加生物科技有限公司 | 2022-06-14 | — | — | CN | claimed |
| CN-114471618-A | Sulfur-doped carbon-loaded nickel-based catalyst, preparation method and application | 中国石油化工股份有限公司 | 2022-05-13 | — | — | CN | claimed |
| CN-114471571-A | Catalyst for preparing isooctylaldehyde by hydrogenation of isooctenal, preparation method and application | 中国石油化工股份有限公司 | 2022-05-13 | — | — | CN | claimed |
| CN-114409520-A | Method for preparing trimethylolpropane by hydrogenation with high condensation yield | 万华化学集团股份有限公司 | 2022-04-29 | — | — | CN | claimed |
| CN-110433802-B | Hydrogenation catalyst, preparation method thereof and method for preparing saturated aldehyde by hydrogenation of alpha, beta-unsaturated aldehyde by using catalyst | 万华化学集团股份有限公司 | 2022-04-19 | — | — | CN | claimed |
| US-3979471-A | Process for synthesizing ethylenic compounds | AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) | 1976-09-07 | — | — | US | claimed |