⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21834898 | 0.84 | — | — | |
| SCHEMBL27543060 | 0.81 | — | — | |
| SCHEMBL31197216 | 0.81 | — | — | |
| SCHEMBL21315721 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL4455927 | 0.81 | — | — | |
| SCHEMBL27572783 | 0.79 | — | — | |
| Trimethylammonium SCHEMBL27265934 | 0.79 | — | — | |
| Benzene SCHEMBL27769125 | 0.77 | — | — | |
| Isopropyl Alcohol SCHEMBL27268437 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL27274233 | 0.73 | ALDH1A1 (0.38) | — |
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-106702346-A | Coating method of separator for fuel cell and separator for fuel cell | 现代自动车株式会社 | 2017-05-24 | — | — | CN | claimed |
| CN-106702346-A | Coating method of separator for fuel cell and separator for fuel cell | 现代自动车株式会社 | 2017-05-24 | — | — | CN | disclosed |