⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9381002 | 0.90 | — | — | |
| SCHEMBL9384132 | 0.90 | HTR1A (0.31) | — | |
| SCHEMBL9380281 | 0.72 | HTR1A (0.40) | — | |
| SCHEMBL9377673 | 0.69 | HTR1A (0.36) | — | |
| SCHEMBL824614 | 0.69 | — | — | |
| SCHEMBL9378088 | 0.66 | HTR1A (0.34) | — | |
| SCHEMBL8223874 | 0.65 | — | — | |
| SCHEMBL4918012 | 0.65 | CA2 (0.37) | — | |
| SCHEMBL4916804 | 0.65 | CA2 (0.37) | — | |
| SCHEMBL9739360 | 0.62 | — | — |
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-5137892-A | Bactericides | ABBOTT LABORATORIES (US) | 1992-08-11 | — | — | US | disclosed |