⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27419105 | 0.85 | OPRM1 (0.37) | — | |
| SCHEMBL28200000 | 0.83 | — | — | |
| SCHEMBL692446 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL27991522 | 0.81 | — | — | |
| SCHEMBL27776297 | 0.81 | OPRM1 (0.39) | — | |
| SCHEMBL5372713 | 0.80 | OPRM1 (0.30) | — | |
| SCHEMBL27986342 | 0.80 | DNM1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL27991344 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL28872477 | 0.80 | ALDH1A1 (0.33) | — | |
| Phosphine SCHEMBL28031045 | 0.80 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109762461-A | A kind of super abrasive anti-pollution UV is coating material solidified and its preparation method and application | 湖南邦弗特新材料技术有限公司 | 2019-05-17 | — | — | CN | disclosed |
| CN-103570964-B | Surface modifying method and surface modified elastic body | 住友橡胶工业株式会社 | 2018-08-31 | — | — | CN | disclosed |
| CN-105122044-B | Mark and the method and system for detecting the defects of graphene layer | 英派尔科技开发有限公司 | 2018-01-02 | — | — | CN | disclosed |