⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL1900735 | 1.00 | TSHR (0.50) | — | |
| Methane SCHEMBL1442993 | 1.00 | TSHR (0.50) | — | |
| Methane SCHEMBL11037799 | 1.00 | TSHR (0.50) | — | |
| Methane SCHEMBL9769006 | 0.95 | TSHR (0.46) | — | |
| SCHEMBL7198648 | 0.94 | TSHR (0.56) | — | |
| SCHEMBL27509881 | 0.94 | — | — | |
| SCHEMBL8014988 | 0.94 | TSHR (0.56) | — | |
| SCHEMBL451238 | 0.94 | — | — | |
| Methane SCHEMBL8838996 | 0.94 | TSHR (0.56) | — | |
| Methane SCHEMBL11423626 | 0.94 | TSHR (0.56) | — |
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-5712224-A | Pesticide comprising soil desalinating agents | SOTAC CORPORATION (US) | 1998-01-27 | — | — | US | claimed |