⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10773027 | 0.93 | — | — | |
| SCHEMBL3027115 | 0.81 | — | — | |
| SCHEMBL3020734 | 0.81 | — | — | |
| SCHEMBL15971427 | 0.79 | CNR1 (0.39) | — | |
| SCHEMBL211939 | 0.77 | — | — | |
| SCHEMBL919462 | 0.77 | — | — | |
| SCHEMBL28110280 | 0.75 | — | — | |
| SCHEMBL11876654 | 0.75 | — | — | |
| SCHEMBL4172217 | 0.73 | — | — | |
| SCHEMBL1697836 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109311789-A | The method for preparing 2,3- unsaturated alcohol | 巴斯夫欧洲公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-105939761-A | Extended release fragrance compositions | 雅芳产品公司 | 2016-09-14 | — | — | CN | disclosed |
| CN-105722495-A | Polyurea or polyurethane capsules | 国际香料和香精公司 | 2016-06-29 | — | — | CN | disclosed |
| CN-104546518-A | Stable, flowable silica capsule formulation | INT FLAVORS & FRAGRANCES INC | 2015-04-29 | — | — | CN | disclosed |
| CN-104560398-A | Hybrid fragrance encapsulate formulation and method for using the same | INT FLAVORS & FRAGRANCES INC | 2015-04-29 | — | — | CN | disclosed |
| WO-2014183883-A1 | CYCLIC ACETALS AND KETALS AND USE THEREOF AS FRAGRANCE | SYMRISE AG (DE) | 2014-11-20 | — | — | WO | disclosed |