⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18542165 | 0.82 | — | — | |
| SCHEMBL470955 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9358975 | 0.78 | EPHX1 (0.38) | — | |
| SCHEMBL171430 | 0.77 | — | — | |
| SCHEMBL15289682 | 0.76 | — | — | |
| SCHEMBL21166055 | 0.76 | TP53BP1 (0.33) | — | |
| SCHEMBL25049541 | 0.74 | EPHX1 (0.40) | — | |
| SCHEMBL23132310 | 0.74 | EPHX1 (0.36) | — | |
| SCHEMBL21431395 | 0.72 | EPHX1 (0.38) | — | |
| SCHEMBL22435053 | 0.72 | EPHX1 (0.43) | — |
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-2023086495-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | CALICO LIFE SCIENCES LLC (US) | 2023-05-19 | — | — | WO | disclosed |