⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12410331 | 0.78 | CYP2C19 (0.33) | — | |
| SCHEMBL14557461 | 0.78 | CYP2C19 (0.33) | — | |
| SCHEMBL15910073 | 0.78 | CYP2C19 (0.33) | — | |
| SCHEMBL17885801 | 0.76 | — | — | |
| SCHEMBL24918071 | 0.75 | — | — | |
| SCHEMBL19046592 | 0.73 | — | — | |
| SCHEMBL13698411 | 0.71 | — | — | |
| SCHEMBL18353047 | 0.69 | — | — | |
| SCHEMBL14617647 | 0.69 | — | — | |
| SCHEMBL16919652 | 0.69 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180021345-A1 | AUTOTAXIN INHIBITORS | NOVARTIS AG (CH) | 2018-01-25 | — | — | US | disclosed |
| US-9763957-B2 | Autotaxin inhibitors | NOVARTIS AG (CH) | 2017-09-19 | — | — | US | disclosed |
| US-20160184318-A1 | AUTOTAXIN INHIBITORS | NOVARTIS AG (CH) | 2016-06-30 | — | — | US | disclosed |
| US-20150203489-A1 | TRISUBSTITUTED PYRIDO[2,3-D]PYRIMIDINES, METHODS FOR PREPARING SAME AND THERAPEUTIC USES THEREOF | UNIVERSITE D'ORLEANS (FR) | 2015-07-23 | — | — | US | disclosed |
| 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 |
| US-20120095022-A1 | DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF | UNIVERSITE D'ORLEANS (FR) | 2012-04-19 | — | — | US | disclosed |