⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1004291 | 0.81 | AKR1B1 (0.30) | — | |
| SCHEMBL1254462 | 0.77 | — | — | |
| SCHEMBL10793560 | 0.77 | — | — | |
| SCHEMBL12061695 | 0.77 | — | — | |
| SCHEMBL8632252 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL28061860 | 0.75 | — | — | |
| SCHEMBL180216 | 0.75 | — | — | |
| SCHEMBL13127977 | 0.75 | — | — | |
| SCHEMBL8950619 | 0.75 | — | — | |
| SCHEMBL10033350 | 0.73 | — | — |
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-104928827-B | TPE fabric for outdoor products | 海盐纵诚物资有限公司 | 2017-01-18 | — | — | CN | claimed |
| CN-104193940-B | A kind of organosilicon/montmorillonite Composite modified poly ester type polyurethane elastomer and preparation method and application | 中科院广州化学有限公司南雄材料生产基地 | 2016-09-07 | — | — | CN | claimed |
| CN-104231225-B | Organosilicon/phyllosilicate composite modified EU elastomer and preparation method and application | 中科院广州化学有限公司南雄材料生产基地 | 2016-08-24 | — | — | CN | claimed |
| CN-104193940-B | A kind of organosilicon/montmorillonite Composite modified poly ester type polyurethane elastomer and preparation method and application | 中科院广州化学有限公司南雄材料生产基地 | 2016-09-07 | — | — | CN | disclosed |
| CN-104211897-B | A kind of imvite modified organosilicon grafted polyester type polyurethane elastomer and preparation method and application | 中科院广州化学有限公司南雄材料生产基地 | 2016-09-07 | — | — | CN | disclosed |