⚠ 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 | |
|---|---|---|---|---|
| Decane SCHEMBL11410043 | 0.95 | TSHR (0.73) | — | |
| Octane SCHEMBL11411019 | 0.95 | TSHR (0.73) | — | |
| Nonane SCHEMBL11414685 | 0.95 | TSHR (0.73) | — | |
| Heptane SCHEMBL11409882 | 0.95 | — | — | |
| Pentane SCHEMBL11410718 | 0.90 | — | — | |
| Hexane SCHEMBL11620371 | 0.88 | TSHR (0.50) | — | |
| Hexane SCHEMBL9699895 | 0.88 | TSHR (0.63) | — | |
| Hexane SCHEMBL28289214 | 0.86 | TSHR (0.58) | — | |
| 1-Pentanol SCHEMBL29094180 | 0.84 | — | — | |
| Hexane SCHEMBL7903495 | 0.84 | TSHR (0.60) | — |
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 |