Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Isobutane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL27629842 | 0.91 | — | — | |
| Isobutane SCHEMBL7754023 | 0.89 | TSHR (0.50) | — | |
| Isobutane SCHEMBL2162423 | 0.89 | — | — | |
| Isobutane SCHEMBL20490082 | 0.89 | TSHR (0.50) | — | |
| Isobutane SCHEMBL30536981 | 0.89 | — | — | |
| Isobutane SCHEMBL768 | 0.89 | — | — | |
| Isobutane SCHEMBL1022735 | 0.89 | — | — | |
| Isobutane SCHEMBL11313074 | 0.89 | TSHR (0.50) | — | |
| Isobutane SCHEMBL11664437 | 0.80 | — | — | |
| Isobutane SCHEMBL1537863 | 0.80 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025102541-A1 | LIGHT CONVERSION AGENT HAVING ASYMMETRIC STRUCTURE, LIGHT CONVERSION ADHESIVE FILM AND PREPARATION METHOD THEREFOR | 常州百佳年代薄膜科技股份有限公司 | 2025-05-22 | — | — | WO | disclosed |
| US-12128044-B2 | Fused tricyclic compounds and uses thereof in medicine | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2024-10-29 | — | — | US | disclosed |
| CN-118561724-A | Preparation method of alkyl-alkyl sulfone compound based on metal reducing agent | 西安交通大学 | 2024-08-30 | — | — | CN | disclosed |
| CN-115703755-B | 2H-benzopyran-2-one derivatives and uses thereof | 成都赜灵生物医药科技有限公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-114790201-B | Vitexin derivative and preparation method and application thereof | 陕西中医药大学 | 2023-11-10 | — | — | CN | disclosed |
| CN-113166036-B | Photopolymerizing sensitizers with migration resistance | 川崎化成工业株式会社 | 2023-10-10 | — | — | CN | disclosed |
| CN-116178178-A | Organic electroluminescent compound, preparation method and application thereof and organic electroluminescent device comprising organic electroluminescent compound | 奥来德(上海)光电材料科技有限公司 | 2023-05-30 | — | — | CN | disclosed |
| WO-2022233264-A1 | CLASS OF XANTHINE OXIDASE INHIBITORS | 江苏新元素医药科技有限公司 | 2022-11-10 | — | — | WO | disclosed |
| WO-2022153667-A1 | COMPOSITION, FILM, LAMINATE, AND DISPLAY DEVICE | 住友化学株式会社 | 2022-07-21 | — | — | WO | disclosed |
| CN-109843895-B | Composition containing aluminum alloy, method for producing same, and method for producing trialkylaluminum | 东曹精细化工株式会社 | 2022-02-22 | — | — | CN | disclosed |
| US-20210236493-A1 | FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2021-08-05 | — | — | US | disclosed |
| CN-113166036-A | Photopolymerisable sensitizers having migration resistance | 川崎化成工业株式会社 | 2021-07-23 | — | — | CN | disclosed |