⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12993816 | 0.76 | ALOX5 (0.31) | — | |
| SCHEMBL14617652 | 0.74 | — | — | |
| SCHEMBL25907370 | 0.70 | MAPT (0.33) | — | |
| SCHEMBL8330118 | 0.69 | — | — | |
| SCHEMBL25907730 | 0.64 | MAPT (0.32) | — | |
| SCHEMBL16263327 | 0.64 | — | — | |
| SCHEMBL19757299 | 0.63 | — | — | |
| SCHEMBL27439410 | 0.62 | — | — | |
| SCHEMBL6124139 | 0.60 | MAPT (0.36) | — | |
| SCHEMBL13672765 | 0.60 | AKR1B1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8901295-B2 | Inhibitors of cyclophilins and uses thereof | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2014-12-02 | — | — | US | disclosed |
| US-8802666-B2 | Inhibitors of cyclophilins and uses thereof | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2014-08-12 | — | — | US | disclosed |
| US-20140179687-A1 | New Inhibitors of Cyclophilins and Uses Thereof | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2014-06-26 | — | — | US | disclosed |
| US-20130018044-A1 | NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2013-01-17 | — | — | US | disclosed |