⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22221912 | 0.79 | — | — | |
| SCHEMBL11410715 | 0.78 | — | — | |
| SCHEMBL887639 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL18973932 | 0.74 | — | — | |
| SCHEMBL27337879 | 0.74 | — | — | |
| SCHEMBL19735094 | 0.74 | — | — | |
| SCHEMBL8162372 | 0.72 | — | — | |
| SCHEMBL12766257 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL18403610 | 0.72 | LMNA (0.43) | — | |
| SCHEMBL16496985 | 0.72 | — | — |
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-4183907-A | FROM CALCIUM HYDROXIDE AND AN ORGANIC HYPOCHLORITE | OLIN CORPORATION (US) | 1980-01-15 | — | — | US | disclosed |