⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30033233 | 0.97 | — | — | |
| SCHEMBL10489503 | 0.97 | — | — | |
| SCHEMBL93407 | 0.97 | — | — | |
| SCHEMBL822429 | 0.97 | — | — | |
| SCHEMBL425852 | 0.97 | — | — | |
| SCHEMBL842357 | 0.94 | — | — | |
| SCHEMBL18259771 | 0.82 | ALDH1A1 (0.41) | — | |
| Tetrahydrofuran SCHEMBL8912584 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL3668894 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL17953985 | 0.75 | PTPN1 (0.35) | — |
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-5773486-A | USING A KETONE AS PHOTOINITIATOR | LUCENT TECHNOLOGIES INC. (US) | 1998-06-30 | — | — | US | disclosed |