⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25707927 | 0.83 | — | — | |
| SCHEMBL357968 | 0.75 | — | — | |
| SCHEMBL25930200 | 0.75 | — | — | |
| SCHEMBL1107068 | 0.73 | — | — | |
| SCHEMBL13321357 | 0.71 | — | — | |
| SCHEMBL26317434 | 0.71 | — | — | |
| SCHEMBL15888588 | 0.71 | — | — | |
| SCHEMBL26622624 | 0.71 | — | — | |
| SCHEMBL21004352 | 0.71 | — | — | |
| SCHEMBL25940618 | 0.70 | CYP2D6 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230242535-A1 | IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION | BRISTOL MYERS SQUIBB CO (US) | 2023-08-03 | — | — | US | disclosed |
| WO-2021055591-A1 | SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | BIAL-BioTech Investments, Inc. (US) | 2021-03-25 | — | — | WO | disclosed |