⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12493675 | 0.66 | — | — | |
| SCHEMBL9029721 | 0.64 | — | — | |
| SCHEMBL21077897 | 0.64 | NAMPT (0.34) | — | |
| SCHEMBL23023689 | 0.59 | — | — | |
| SCHEMBL15381288 | 0.59 | SOS1 (0.32) | — | |
| SCHEMBL19346334 | 0.58 | CHRM2 (0.32) | — | |
| SCHEMBL23394176 | 0.57 | — | — | |
| SCHEMBL15478457 | 0.57 | SOS1 (0.34) | — | |
| SCHEMBL15478465 | 0.56 | HDAC3 (0.32) | — | |
| SCHEMBL20019657 | 0.56 | — | — |
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-10222368-B2 | Alzheimer's disease assay in a living patient | PAIN THERAPEUTICS, INC. (US) | 2019-03-05 | — | — | US | disclosed |