⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8401641 | 0.89 | ALOX15 (0.33) | — | |
| SCHEMBL27664279 | 0.89 | — | — | |
| SCHEMBL27683921 | 0.87 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL27683933 | 0.87 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL4225849 | 0.87 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL8487791 | 0.83 | KDM4E (0.36) | — | |
| SCHEMBL5586069 | 0.83 | SMN1; SMN2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL28777414 | 0.81 | KDM4E (0.35) | — | |
| SCHEMBL27683963 | 0.81 | ALOX15 (0.40) | — | |
| SCHEMBL27656025 | 0.81 | SCN1A (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107382870-A | N substituted imidazole carboxylic acid ester compounds and preparation method thereof and purposes in medicine | 四川海思科制药有限公司 | 2017-11-24 | — | — | CN | disclosed |
| CN-104781261-B | The macrocyclic hcv inhibitors of flaviviridae | 吉利德科学公司 | 2017-08-25 | — | — | CN | disclosed |
| WO-2006064286-A1 | CATHEPSIN S INHIBITORS | MEDIVIR UK LTD (GB) | 2006-06-22 | — | — | WO | disclosed |
| US-4076840-A | TREATMENT OF ALCOHOLISM | ASTRA LAKEMEDEL AKTIEBOLAG (SW) | 1978-02-28 | — | — | US | disclosed |