⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19017742 | 0.75 | — | — | |
| SCHEMBL21167227 | 0.73 | — | — | |
| SCHEMBL21503721 | 0.71 | — | — | |
| SCHEMBL24249134 | 0.71 | — | — | |
| SCHEMBL19217259 | 0.71 | — | — | |
| SCHEMBL20892730 | 0.70 | — | — | |
| SCHEMBL14194953 | 0.68 | — | — | |
| SCHEMBL25818749 | 0.68 | — | — | |
| SCHEMBL18814764 | 0.68 | — | — | |
| SCHEMBL26751314 | 0.67 | — | — |
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-2022040260-A1 | 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-02-24 | — | — | WO | disclosed |
| WO-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |