⚠ 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 | |
|---|---|---|---|---|
| Cyanate SCHEMBL28112345 | 0.93 | — | — | |
| Water SCHEMBL28060834 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL2156398 | 0.91 | ALDH1A1 (0.32) | — | |
| SCHEMBL28106994 | 0.88 | ALDH1A1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL27991089 | 0.88 | ALDH1A1 (0.30) | — | |
| Phosphine SCHEMBL28031041 | 0.88 | ALDH1A1 (0.30) | — | |
| Propanol SCHEMBL28326995 | 0.86 | ALDH1A1 (0.38) | — | |
| Alcohol SCHEMBL28056034 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL28275235 | 0.84 | — | — | |
| SCHEMBL28699233 | 0.83 | SMN1; SMN2 (0.35) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105348538-B | A kind of preparation method of cyanogen alkyl, polyethers comodified polysiloxane | 广东标美硅氟新材料有限公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-105348535-B | A kind of preparation method of cyanogen alkyl, aryl comodified polysiloxane | 广东标美硅氟新材料有限公司 | 2018-08-07 | — | — | CN | disclosed |
| CN-105401444-B | A kind of finish and its application as carbon fiber production auxiliary agent | 广东标美硅氟新材料有限公司 | 2018-07-03 | — | — | CN | disclosed |
| CN-105392530-B | Oil/fat liquor comprising the particle being broken with curvature, the purposes for being used to stablize O/O lotions comprising their compositions and the particle | 欧莱雅 | 2018-06-01 | — | — | CN | disclosed |
| CN-105401444-A | An oiling agent and applications thereof as a carbon fiber production auxiliary agent | GUANGDONG BIOMAX SI&F NEW MAT CO LTD | 2016-03-16 | — | — | CN | disclosed |
| CN-105392530-A | Oil/oil emulsions containing particles with a breakage of curvature, compositions comprising them and use of the particles for stabilizing o/o emulsions | OREAL | 2016-03-09 | — | — | CN | disclosed |
| CN-105348538-A | Preparation method cyano-alkyl and polyether co-modified polysiloxane | GUANGDONG BIOMAX SI&F NEW MATERIAL CO LTD | 2016-02-24 | — | — | CN | disclosed |
| CN-105348535-A | Preparation method of cyano-alkyl and aryl co-modified polysiloxane | GUANGDONG BIOMAX SI&F NEW MATERIAL CO LTD | 2016-02-24 | — | — | CN | disclosed |
| CN-104955523-A | Method for reducing the appearance of skin pores and for making skin matte and aqueous composition for skin care comprising spindle-shaped particles | OREAL | 2015-09-30 | — | — | CN | disclosed |