⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26730963 | 0.80 | — | — | |
| SCHEMBL25663401 | 0.80 | — | — | |
| SCHEMBL13679421 | 0.78 | — | — | |
| SCHEMBL23348669 | 0.72 | — | — | |
| SCHEMBL23206347 | 0.70 | — | — | |
| SCHEMBL727673 | 0.69 | — | — | |
| SCHEMBL18174939 | 0.69 | — | — | |
| SCHEMBL14616097 | 0.67 | — | — | |
| SCHEMBL12656351 | 0.65 | — | — | |
| SCHEMBL6361146 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022086822-A1 | PROCESSES OF PREPARING 3-FLUORO-5-(((1S,2AR)-1,3,3,4,4-PENTAFLUORO-2A-HYDROXY-2,2A,3,4-TETRAHYDRO-1H-CYCLOPENTA[CD]INDEN-7-YL)OXY)-BENZONITRILE | NIKANG THERAPEUTICS, INC. (US) | 2022-04-28 | — | — | WO | disclosed |
| WO-2021097240-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2021-05-20 | — | — | WO | disclosed |
| WO-2020154571-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2020-07-30 | — | — | WO | disclosed |
| WO-2017117393-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2017-07-06 | — | — | WO | disclosed |