⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10433726 | 0.75 | KMT2A (0.56) | — | |
| SCHEMBL11565383 | 0.73 | — | — | |
| SCHEMBL11046099 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL11581000 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL9585293 | 0.67 | POLB (0.55) | — | |
| SCHEMBL10433818 | 0.67 | POLB (0.55) | — | |
| SCHEMBL28028901 | 0.67 | PDE4B (0.32) | — | |
| SCHEMBL9586860 | 0.66 | POLB (0.50) | — | |
| SCHEMBL10448879 | 0.66 | POLB (0.46) | — | |
| SCHEMBL9584015 | 0.66 | POLB (0.54) | — |
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-4168980-A | SILVER IMIDAZOLINE-2-THIONE | EASTMAN KODAK COMPANY (US) | 1979-09-25 | — | — | US | disclosed |