⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28665208 | 0.92 | TSHR (0.33) | — | |
| SCHEMBL20955910 | 0.85 | TSHR (0.45) | — | |
| SCHEMBL27584891 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL4405078 | 0.81 | — | — | |
| SCHEMBL2289336 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL28318688 | 0.77 | — | — | |
| SCHEMBL28173078 | 0.76 | — | — | |
| SCHEMBL667803 | 0.74 | — | — | |
| SCHEMBL6545106 | 0.73 | — | — | |
| SCHEMBL27461419 | 0.70 | TSHR (0.31) | — |
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-113861354-A | Anti-mud polycarboxylate superplasticizer mother liquor and preparation method thereof | 四川奥克化学有限公司 | 2021-12-31 | — | — | CN | claimed |
| CN-113861354-A | Anti-mud polycarboxylate superplasticizer mother liquor and preparation method thereof | 四川奥克化学有限公司 | 2021-12-31 | — | — | CN | disclosed |