⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21838588 | 0.83 | — | — | |
| SCHEMBL20072805 | 0.81 | HDAC4 (0.37) | — | |
| SCHEMBL20073009 | 0.73 | HDAC4 (0.34) | — | |
| SCHEMBL21838569 | 0.69 | — | — | |
| SCHEMBL20063770 | 0.64 | HDAC4 (0.37) | — | |
| SCHEMBL30752541 | 0.63 | ASGR1 (0.34) | — | |
| SCHEMBL1970179 | 0.63 | CACNA1B (0.38) | — | |
| SCHEMBL24192210 | 0.62 | FPR3 (0.34) | — | |
| SCHEMBL1968456 | 0.61 | PDK2 (0.36) | — | |
| SCHEMBL30401066 | 0.61 | EPHX1 (0.42) | — |
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-2018072602-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2018-04-26 | — | — | WO | disclosed |