⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28364585 | 0.82 | HPGD (0.49) | — | |
| SCHEMBL1698570 | 0.80 | — | — | |
| SCHEMBL321670 | 0.80 | — | — | |
| SCHEMBL1698442 | 0.80 | — | — | |
| SCHEMBL11321648 | 0.80 | — | — | |
| SCHEMBL14744489 | 0.78 | — | — | |
| SCHEMBL9728404 | 0.78 | — | — | |
| SCHEMBL14744490 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL3538913 | 0.78 | ALDH1A1 (0.51) | — | |
| SCHEMBL1260261 | 0.78 | — | — |
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-2009019173-A1 | OXIME ESTER PHOTOINITIATORS | BASF SE (CH) | 2009-02-12 | — | — | WO | disclosed |