⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28811 | 0.97 | — | — | |
| SCHEMBL506408 | 0.95 | — | — | |
| Water SCHEMBL27898216 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4776707 | 0.95 | — | — | |
| Benzene SCHEMBL28134422 | 0.91 | PDPK1 (0.39) | — | |
| Pyridine SCHEMBL27488596 | 0.85 | TSHR (0.36) | — | |
| Piperidine SCHEMBL28173675 | 0.80 | CYP2D6 (0.33) | — | |
| Cyclohexylamine SCHEMBL7792728 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL15870899 | 0.76 | RIOK2 (0.49) | — | |
| Nitrobenzene SCHEMBL28146083 | 0.75 | ALDH1A1 (0.50) | — |
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-107723750-A | A kind of additive and the method using 6 microns of high rigidity electrolytic copper foils of Additive Production | 灵宝华鑫铜箔有限责任公司 | 2018-02-23 | — | — | CN | claimed |
| CN-109796471-A | Indolone spirocyclopropane spiral shell-thiazolone or spiral shell-terahydro thiazolone derivative and its preparation method and application | 中国人民解放军第四军医大学 | 2019-05-24 | — | — | CN | disclosed |