⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12621815 | 0.83 | — | — | |
| SCHEMBL15381272 | 0.79 | USP2 (0.30) | — | |
| SCHEMBL12621803 | 0.75 | — | — | |
| SCHEMBL12623853 | 0.74 | GRIN2D (0.33) | — | |
| SCHEMBL15434386 | 0.73 | — | — | |
| SCHEMBL15381273 | 0.73 | USP2 (0.31) | — | |
| SCHEMBL12624721 | 0.72 | ADRA2C (0.38) | — | |
| SCHEMBL12626662 | 0.72 | — | — | |
| SCHEMBL12673078 | 0.71 | — | — | |
| SCHEMBL26777978 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9500640-B2 | Alzheimer's disease assay in a living patient | PAIN THERAPEUTICS, INC. (US) | 2016-11-22 | — | — | US | disclosed |
| US-9354223-B2 | Alzheimer's disease assay in a living patient | PAIN THERAPEUTICS INC. (US) | 2016-05-31 | — | — | US | disclosed |