⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL131268 | 0.97 | — | — | |
| SCHEMBL27579624 | 0.93 | — | — | |
| SCHEMBL27616649 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28209213 | 0.93 | — | — | |
| SCHEMBL27840372 | 0.93 | — | — | |
| SCHEMBL28081021 | 0.93 | — | — | |
| Water SCHEMBL37215 | 0.93 | TSHR (0.38) | — | |
| SCHEMBL28278010 | 0.93 | — | — | |
| SCHEMBL27840398 | 0.93 | — | — | |
| SCHEMBL27886869 | 0.93 | — | — |
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-106732772-B | Cracking catalyst for 1, 2-dichloroethane, process for producing the same and use thereof | 台湾塑胶工业股份有限公司 | 2019-09-24 | — | — | CN | disclosed |
| CN-106732772-A | Cracking catalyst for 1, 2-dichloroethane, process for producing the same and use thereof | 台湾塑胶工业股份有限公司 | 2017-05-31 | — | — | CN | disclosed |