⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5522 | 0.95 | — | — | |
| Water SCHEMBL28124261 | 0.91 | — | — | |
| SCHEMBL23295171 | 0.91 | — | — | |
| Propane SCHEMBL26106476 | 0.87 | ALDH1A1 (0.39) | — | |
| SCHEMBL409239 | 0.86 | — | — | |
| SCHEMBL117963 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL15339371 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL10057431 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL17914318 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL17932916 | 0.84 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108463499-B | Elastomer composition and vulcanization accelerator used therein | 倍耐力轮胎股份公司 | 2020-03-10 | — | — | CN | disclosed |
| CN-106659161-B | Amide compound and its harmful arthropod prevent and kill off purposes | 住友化学株式会社 | 2019-08-02 | — | — | CN | disclosed |
| CN-108463499-A | Elastic composition and vulcanization accelerator used in it | 倍耐力轮胎股份公司 | 2018-08-28 | — | — | CN | disclosed |
| CN-106659161-A | Amide compound and use of same for noxious arthropod control | 住友化学株式会社 | 2017-05-10 | — | — | CN | disclosed |
| US-5661148-A | ANTIHYPOXIC AGENT FOR RESPIRATORY SYSTEM DISORDER | TEIJIN LIMITED (JP) | 1997-08-26 | — | — | US | disclosed |