⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11531478 | 0.78 | — | — | |
| SCHEMBL11220970 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL11230328 | 0.76 | — | — | |
| SCHEMBL11228456 | 0.74 | — | — | |
| SCHEMBL11532021 | 0.73 | EPHX2 (0.41) | — | |
| SCHEMBL11528276 | 0.73 | — | — | |
| SCHEMBL11221834 | 0.72 | — | — | |
| SCHEMBL11529103 | 0.72 | MEN1 (0.36) | — | |
| SCHEMBL29523278 | 0.72 | MEN1 (0.36) | — | |
| SCHEMBL197870 | 0.71 | — | — |
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-4134752-A | 2-HALO-ETHANE SULFINIC ACID OR ESTER | SHELL OIL COMPANY (US) | 1979-01-16 | — | — | US | claimed |