⚠ 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 | |
|---|---|---|---|---|
| Isothiocyanate SCHEMBL28211010 | 0.88 | — | — | |
| SCHEMBL27627164 | 0.87 | TSHR (0.35) | — | |
| Phosphine SCHEMBL28031042 | 0.84 | TSHR (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL28095960 | 0.84 | TSHR (0.33) | — | |
| Water SCHEMBL28060836 | 0.84 | TSHR (0.33) | — | |
| Methylamine SCHEMBL28044865 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL28174016 | 0.82 | — | — | |
| SCHEMBL28160500 | 0.81 | — | — | |
| Cyanate SCHEMBL28112346 | 0.81 | — | — | |
| Urea SCHEMBL28099558 | 0.81 | ALOX15 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105349020-B | Applied to industrial coating, the moisture curing polymer composition of the stretching and croop property with low viscosity of binder and fluid sealant | 上海埃菲东多胶粘技术有限公司 | 2018-11-06 | — | — | CN | claimed |
| CN-106104835-B | Solar cell | 富士胶片株式会社 | 2019-05-07 | — | — | CN | disclosed |
| CN-105349020-B | Applied to industrial coating, the moisture curing polymer composition of the stretching and croop property with low viscosity of binder and fluid sealant | 上海埃菲东多胶粘技术有限公司 | 2018-11-06 | — | — | CN | disclosed |
| CN-106104835-A | Solar cell | 富士胶片株式会社 | 2016-11-09 | — | — | CN | disclosed |