⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5600240 | 0.70 | — | — | |
| SCHEMBL11705079 | 0.67 | NPC1 (0.31) | — | |
| SCHEMBL5600908 | 0.60 | CYP1A2 (0.32) | — | |
| SCHEMBL1134728 | 0.60 | TSHR (0.41) | — | |
| SCHEMBL1134711 | 0.60 | CYP3A4 (0.41) | — | |
| SCHEMBL9384579 | 0.59 | NOS3 (0.32) | — | |
| SCHEMBL39444 | 0.58 | TSHR (0.57) | — | |
| SCHEMBL6365886 | 0.56 | — | — | |
| SCHEMBL1387779 | 0.56 | NQO2 (0.33) | — | |
| SCHEMBL25403085 | 0.55 | TSHR (0.53) | — |
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-20200079801-A1 | TRISUBSTITUTEDSILYLBENZYLBENZIMIDAZOLES AND ANALOGUES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-03-12 | — | — | US | disclosed |