⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9611479 | 0.82 | — | — | |
| SCHEMBL22403731 | 0.77 | — | — | |
| SCHEMBL12510525 | 0.75 | GBA1 (0.35) | — | |
| SCHEMBL24166176 | 0.75 | HTR2A (0.31) | — | |
| SCHEMBL331684 | 0.74 | — | — | |
| SCHEMBL11825926 | 0.72 | — | — | |
| SCHEMBL5076390 | 0.72 | — | — | |
| SCHEMBL14093979 | 0.72 | — | — | |
| SCHEMBL24200471 | 0.69 | — | — | |
| SCHEMBL12834663 | 0.69 | — | — |
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-20210172030-A1 | METHOD FOR DETECTING A TANDEM REPEAT | IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) | 2021-06-10 | — | — | US | disclosed |