⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4812542 | 0.83 | — | — | |
| SCHEMBL3852445 | 0.71 | ITGB2 (0.35) | — | |
| SCHEMBL449446 | 0.71 | MAOA (0.34) | — | |
| SCHEMBL28568250 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL3853435 | 0.70 | TRPV1 (0.35) | — | |
| SCHEMBL28596155 | 0.67 | MAOA (0.34) | — | |
| SCHEMBL17185573 | 0.67 | MAOA (0.34) | — | |
| SCHEMBL7347250 | 0.67 | KDM1A (0.35) | — | |
| SCHEMBL7022979 | 0.67 | CYP19A1 (0.32) | — | |
| SCHEMBL7534538 | 0.67 | MAOA (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2694519-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF SPHINGOLIPID SIGNALING AND USES THEREOF | Johann Wolfgang Goethe-Universität (DE) | 2014-02-12 | — | — | EP | disclosed |
| WO-2012131096-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF SPHINGOLIPID SIGNALING AND USES THEREOF | JOHANN WOLFGANG GOETHE-UNIVERSITÄT, FRANKFURT AM MAIN (DE) | 2012-10-04 | — | — | WO | disclosed |
| WO-2005037839-A1 | NORCANTHARIDIN DERIVATIVE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF | ENTOMED (FR) | 2005-04-28 | — | — | WO | disclosed |