⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20356308 | 1.00 | — | — | |
| SCHEMBL476608 | 0.81 | DNM1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL10686188 | 0.78 | HIF1A (0.43) | — | |
| SCHEMBL11136 | 0.77 | — | — | |
| SCHEMBL29696240 | 0.76 | — | — | |
| SCHEMBL17261304 | 0.75 | HIF1A (0.38) | — | |
| SCHEMBL19206137 | 0.73 | — | — | |
| SCHEMBL1658052 | 0.73 | — | — | |
| SCHEMBL19616476 | 0.73 | — | — | |
| SCHEMBL7718395 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016164675-A1 | SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF | ARAXES PHARMA LLC (US) | 2016-10-13 | — | — | WO | disclosed |
| WO-2012024233-A2 | ZWITTERIONIC LIPIDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-02-23 | — | — | WO | disclosed |