⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6818443 | 0.96 | — | — | |
| SCHEMBL16969915 | 0.74 | — | — | |
| SCHEMBL16969907 | 0.72 | — | — | |
| SCHEMBL16969793 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL16969618 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL16970131 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL16970039 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL16969841 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL27911424 | 0.69 | — | — | |
| SCHEMBL3131276 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106149414-B | The preparation method of ionic liquid carbon conductive nano solution and Far-infrared radiation heating material | 中国科学院过程工程研究所 | 2019-05-24 | — | — | CN | disclosed |
| CN-106149414-A | Ionic liquid carbon conductive nano solution and the preparation method of Far-infrared radiation heating material | 中国科学院过程工程研究所 | 2016-11-23 | — | — | CN | disclosed |