⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23869531 | 0.80 | — | — | |
| SCHEMBL12101885 | 0.77 | — | — | |
| SCHEMBL24727664 | 0.75 | GRIK1 (0.31) | — | |
| SCHEMBL24111935 | 0.75 | — | — | |
| SCHEMBL7096152 | 0.75 | AKR1C3 (0.32) | — | |
| SCHEMBL2053892 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL18456411 | 0.73 | — | — | |
| SCHEMBL11663035 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL28093974 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL2275326 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004041209-A2 | TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF | PARATEK PHARMACEUTICALS, INC. (US) | 2004-05-21 | — | — | WO | disclosed |