⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2014516 | 0.66 | — | — | |
| Biphenyl SCHEMBL5572099 | 0.53 | ALDH1A1 (0.75) | — | |
| Biphenyl SCHEMBL27731746 | 0.53 | ALDH1A1 (0.75) | — | |
| Biphenyl SCHEMBL31021023 | 0.53 | ALDH1A1 (0.75) | — | |
| SCHEMBL2168449 | 0.52 | ALDH1A1 (0.50) | — | |
| Biphenyl SCHEMBL6364305 | 0.51 | ALDH1A1 (0.69) | — | |
| Perbromobenzene SCHEMBL28319870 | 0.51 | ALDH1A1 (0.69) | — | |
| Tannin Pyrogallol SCHEMBL30277401 | 0.51 | ALDH1A1 (0.69) | — | |
| SCHEMBL1259791 | 0.50 | ALDH1A1 (0.48) | — | |
| Biphenyl SCHEMBL8769842 | 0.49 | ALDH1A1 (0.82) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009155527-A9 | PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS | PROGENICS PHARMACEUTICALS, INC. (US) | 2010-05-06 | — | — | WO | disclosed |