⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11067404 | 0.85 | — | — | |
| SCHEMBL37311 | 0.79 | MEN1 (0.33) | — | |
| SCHEMBL17968237 | 0.72 | DRD2 (0.33) | — | |
| SCHEMBL1042695 | 0.71 | DRD1 (0.38) | — | |
| SCHEMBL36831 | 0.71 | HTR2A (0.31) | — | |
| SCHEMBL15411118 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL82772 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL113422 | 0.70 | DRD2 (0.33) | — | |
| SCHEMBL8086602 | 0.70 | — | — | |
| SCHEMBL150717 | 0.70 | GABRA1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100022676-A1 | PHOTOCURABLE COMPOSITIONS COMPRISING A PHOTOINITIATOR OF THE PHENYLGLYOXYLATE TYPE | CIBA CORPORATION | 2010-01-28 | — | — | US | disclosed |