⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27723530 | 0.72 | — | — | |
| SCHEMBL11129989 | 0.69 | — | — | |
| SCHEMBL29039294 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL16280217 | 0.69 | — | — | |
| SCHEMBL29195543 | 0.69 | — | — | |
| SCHEMBL7017987 | 0.64 | — | — | |
| SCHEMBL1087683 | 0.61 | — | — | |
| SCHEMBL10718724 | 0.61 | ALDH1A1 (0.38) | — | |
| SCHEMBL7617825 | 0.61 | — | — | |
| SCHEMBL6244573 | 0.61 | — | — |
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-106892793-A | The circulation utilization method of bromine in a kind of bactericide dithiocyano-methane production | 常州大学 | 2017-06-27 | — | — | CN | disclosed |
| CN-103318979-B | Circulating cooling water biological slime control agent and its application method | CHINA PETROLEUM & CHEMICAL | 2015-05-13 | — | — | CN | disclosed |