⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL872277 | 0.74 | — | — | |
| SCHEMBL28032427 | 0.74 | — | — | |
| SCHEMBL10524637 | 0.74 | GRIK1 (0.41) | — | |
| SCHEMBL5674658 | 0.72 | — | — | |
| SCHEMBL246812 | 0.72 | — | — | |
| SCHEMBL4079703 | 0.72 | — | — | |
| SCHEMBL2730011 | 0.70 | MAPT (0.35) | — | |
| SCHEMBL18091833 | 0.70 | — | — | |
| SCHEMBL8592488 | 0.70 | — | — | |
| SCHEMBL28904230 | 0.70 | — | — |
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-5527842-A | IMPARTS HEAT RESISTANCE AND IMPROVES STORAGE STABILITY | WITCO CORPORATION (US) | 1996-06-18 | — | — | US | disclosed |