⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19670701 | 0.84 | CNR2 (0.41) | — | |
| SCHEMBL23589968 | 0.81 | — | — | |
| SCHEMBL8648273 | 0.74 | CNR2 (0.47) | — | |
| SCHEMBL7772177 | 0.74 | CNR2 (0.47) | — | |
| SCHEMBL20275635 | 0.74 | — | — | |
| SCHEMBL20778469 | 0.72 | — | — | |
| SCHEMBL20226873 | 0.72 | — | — | |
| SCHEMBL22074762 | 0.72 | — | — | |
| SCHEMBL18469759 | 0.72 | — | — | |
| SCHEMBL20881432 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10023557-B2 | Therapeutic inhibitory compounds | LIFESCI PHARMACEUTICALS, INC. (BB) | 2018-07-17 | — | — | US | disclosed |
| US-20170029406-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | ATTUNE PHARMACEUTICALS, INC. | 2017-02-02 | — | — | US | disclosed |