⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12621813 | 0.85 | CRHBP (0.30) | — | |
| SCHEMBL20362782 | 0.81 | — | — | |
| SCHEMBL15381270 | 0.81 | USP2 (0.31) | — | |
| SCHEMBL16749609 | 0.81 | NEK2 (0.32) | — | |
| SCHEMBL21325142 | 0.77 | — | — | |
| SCHEMBL12621790 | 0.74 | GRIN2D (0.35) | — | |
| SCHEMBL17787253 | 0.70 | — | — | |
| SCHEMBL20989932 | 0.68 | — | — | |
| SCHEMBL15434388 | 0.67 | — | — | |
| SCHEMBL15381273 | 0.63 | USP2 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10363239-B2 | Method for inhibiting growth of cancer cells | PAIN THERAPEUTICS (US) | 2019-07-30 | — | — | US | disclosed |
| US-9500640-B2 | Alzheimer's disease assay in a living patient | PAIN THERAPEUTICS, INC. (US) | 2016-11-22 | — | — | US | disclosed |
| US-20140017699-A1 | ALZHEIMER'S DISEASE ASSAY IN A LIVING PATIENT | CASSAVA SCIENCES, INC. | 2014-01-16 | — | — | US | disclosed |