⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23344394 | 0.74 | — | — | |
| SCHEMBL486467 | 0.69 | — | — | |
| Water SCHEMBL7594635 | 0.67 | — | — | |
| Iodide SCHEMBL3791317 | 0.67 | — | — | |
| SCHEMBL22890849 | 0.67 | — | — | |
| SCHEMBL8737200 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL23204987 | 0.60 | WDR5 (0.32) | — | |
| SCHEMBL19928170 | 0.60 | ALDH1A1 (0.30) | — | |
| SCHEMBL24663000 | 0.60 | KDM4E (0.40) | — | |
| SCHEMBL18630421 | 0.60 | ALDH1A1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106061963-B | Heterocyclic modulators of lipid synthesis and combinations thereof | 3-V生物科学股份有限公司 | 2019-10-22 | — | — | CN | disclosed |
| US-9926308-B2 | N-cyclopropyl-N-piperidinyl-amides, pharmaceutical compositions containing them and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-03-27 | — | — | US | disclosed |
| CN-106061963-A | Heterocyclic modulators of lipid synthesis and combinations thereof | 3-V生物科学股份有限公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-104507928-B | Heterocyclic modulators of lipid synthesis | 3-V生物科学股份有限公司 | 2016-09-28 | — | — | CN | disclosed |
| EP-2687513-A1 | Drugs for inhibiting aggregation of proteins invoved in diseases linked to protein aggregation and/or neurodegenerative diseases | Ludwig-Maximilians-Universität München (DE) | 2014-01-22 | — | — | EP | disclosed |