⚠ 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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL2456014 | 1.00 | TSHR (0.82) | — | |
| Isobutanol SCHEMBL969 | 0.91 | — | — | |
| Isobutanol SCHEMBL11800894 | 0.91 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL175952 | 0.91 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL23672280 | 0.86 | — | — | |
| Isobutanol SCHEMBL9759733 | 0.86 | TSHR (0.90) | — | |
| Isobutanol SCHEMBL14991373 | 0.86 | — | — | |
| Isobutanol SCHEMBL60555 | 0.86 | — | — | |
| Isobutanol SCHEMBL1308019 | 0.86 | TSHR (0.90) | — | |
| Isobutanol SCHEMBL3991778 | 0.86 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110431205-A | Adherence stacked film and structural body | MITSUI CHEMICALS TOHCELLO INC | 2019-11-08 | — | — | CN | disclosed |
| CN-108521767-A | COMPOSITE LAMINATE AND METHOD FOR STORING RESIN LAYER | 日本瑞翁株式会社 | 2018-09-11 | — | — | CN | disclosed |
| CN-108030710-A | Composition of skin cleanser | 广东旭睿美医疗科技有限公司 | 2018-05-15 | — | — | CN | disclosed |
| CN-106572957-A | Skin color-improving agent and composition for improving skin color | 昭和电工株式会社 | 2017-04-19 | — | — | CN | disclosed |
| CN-106538052-A | Organic el light emitting device | 日本瑞翁株式会社 | 2017-03-22 | — | — | CN | disclosed |
| CN-104370694-A | Separation method of isobutanol-ethyl isobutyrate azeotrope by batch extraction rectification | UNIV JINAN | 2015-02-25 | — | — | CN | disclosed |
| WO-2001089820-A2 | COMPOSITIONS AND METHODS FOR COATING A SUBSTRATE | TRITON SYSTEMS, INC. (US) | 2001-11-29 | — | — | WO | disclosed |
| US-4673516-A | Aqueous hydrogel lubricant | INTEGRAL CORPORATION (US) | 1987-06-16 | — | — | US | disclosed |