⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7792783 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL7792795 | 0.74 | HDAC3 (0.33) | — | |
| SCHEMBL828545 | 0.68 | GABRP (0.33) | — | |
| SCHEMBL29346617 | 0.68 | TPMT (0.34) | — | |
| SCHEMBL7784276 | 0.67 | HDAC3 (0.33) | — | |
| SCHEMBL25667519 | 0.66 | TTR (0.33) | — | |
| SCHEMBL7784286 | 0.66 | — | — | |
| SCHEMBL2121048 | 0.66 | TDP1 (0.31) | — | |
| SCHEMBL14040214 | 0.65 | TPMT (0.34) | — | |
| SCHEMBL338900 | 0.65 | TET2 (0.34) | — |
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-5679710-A | DENTAL COMPOSITES | LONDON HOSPITAL MEDICAL COLLEGE (GB) | 1997-10-21 | — | — | US | disclosed |