⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL945159 | 0.69 | EPHX2 (0.32) | — | |
| SCHEMBL945160 | 0.69 | KMT2A (0.33) | — | |
| SCHEMBL873177 | 0.69 | EPHX2 (0.35) | — | |
| SCHEMBL23187583 | 0.69 | CHRNA7 (0.33) | — | |
| SCHEMBL10119969 | 0.64 | HCRTR2 (0.32) | — | |
| SCHEMBL23564478 | 0.64 | KAT5 (0.33) | — | |
| SCHEMBL23564479 | 0.64 | USP30 (0.33) | — | |
| SCHEMBL4355006 | 0.62 | CA1 (0.46) | — | |
| SCHEMBL18914047 | 0.62 | EPHX2 (0.46) | — | |
| SCHEMBL24914366 | 0.61 | ALDH1A1 (0.32) | — |
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-20230019236-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | CALICO LIFE SCIENCES LLC (US) | 2023-01-19 | — | — | US | disclosed |