⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7851689 | 0.82 | SPHK2 (0.67) | — | |
| SCHEMBL5173054 | 0.82 | — | — | |
| SCHEMBL31541186 | 0.79 | SPHK2 (0.72) | — | |
| SCHEMBL17747405 | 0.79 | SPHK2 (0.72) | — | |
| SCHEMBL11154443 | 0.79 | SPHK2 (0.72) | — | |
| SCHEMBL23668354 | 0.79 | SPHK2 (0.72) | — | |
| SCHEMBL31541184 | 0.79 | SPHK2 (0.72) | — | |
| SCHEMBL9510458 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL20983881 | 0.79 | SPHK2 (0.55) | — | |
| SCHEMBL5174178 | 0.73 | — | — |
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-5470834-A | Metalloproteinase enzyme inhibitors for arthritis, rheumatism and cancers | FLORIDA STATE UNIVERSITY (US) | 1995-11-28 | — | — | US | disclosed |