⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL660884 | 1.00 | — | — | |
| SCHEMBL19262991 | 1.00 | — | — | |
| SCHEMBL466087 | 1.00 | — | — | |
| SCHEMBL225338 | 1.00 | — | — | |
| Fluoride SCHEMBL5765589 | 0.98 | CYP1A2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL907007 | 0.98 | CYP1A2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL907008 | 0.98 | CYP1A2 (0.38) | — | |
| SCHEMBL24892642 | 0.93 | CYP1A2 (0.34) | — | |
| SCHEMBL21782559 | 0.91 | CYP1A2 (0.33) | — | |
| SCHEMBL4168216 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2760447-A1 | ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS | Vanderbilt University (US) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013049773-A1 | ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS | VANDERBILT UNIVERSITY (US) | 2013-04-04 | — | — | WO | disclosed |