⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL880922 | 0.97 | — | — | |
| SCHEMBL8249544 | 0.94 | — | — | |
| SCHEMBL947006 | 0.89 | — | — | |
| SCHEMBL9172633 | 0.80 | — | — | |
| SCHEMBL9169268 | 0.80 | CHRNB2 (0.34) | — | |
| SCHEMBL14669355 | 0.76 | TRPA1 (0.30) | — | |
| SCHEMBL17340545 | 0.76 | — | — | |
| SCHEMBL16964023 | 0.74 | — | — | |
| SCHEMBL10702369 | 0.74 | LMNA (0.44) | — | |
| SCHEMBL22808700 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023147531-A1 | INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-08-03 | — | — | WO | disclosed |
| WO-2019144041-A1 | DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS | CYTOKINETICS, INC. (US) | 2019-07-25 | — | — | WO | disclosed |