⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19756422 | 0.79 | MAPT (0.39) | — | |
| SCHEMBL19251150 | 0.71 | FAAH (0.37) | — | |
| SCHEMBL19756407 | 0.71 | IDO1 (0.32) | — | |
| SCHEMBL18252824 | 0.70 | GABRA1 (0.32) | — | |
| SCHEMBL29376868 | 0.69 | — | — | |
| SCHEMBL15044982 | 0.68 | NPC1 (0.32) | — | |
| SCHEMBL19756427 | 0.67 | SORD (0.33) | — | |
| SCHEMBL25747005 | 0.67 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL23542739 | 0.66 | NPC1 (0.31) | — | |
| SCHEMBL15928097 | 0.66 | CHRNA7 (0.32) | — |
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-20170369498-A1 | TRICYCLIC GYRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | US | disclosed |