⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL471969 | 0.77 | — | — | |
| SCHEMBL11467408 | 0.73 | — | — | |
| SCHEMBL8234490 | 0.72 | GRM8 (0.34) | — | |
| SCHEMBL28972983 | 0.72 | CYP1A2 (0.34) | — | |
| SCHEMBL4459591 | 0.72 | GRM8 (0.34) | — | |
| SCHEMBL27955345 | 0.72 | GSR (0.54) | — | |
| SCHEMBL471976 | 0.72 | SLC22A6 (0.33) | — | |
| SCHEMBL2021157 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL11860907 | 0.70 | LMNA (0.36) | — | |
| SCHEMBL31261311 | 0.70 | LMNA (0.36) | — |
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-4101575-A | FUNGICIDES, BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1978-07-18 | — | — | US | disclosed |