⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1724327 | 0.84 | — | — | |
| SCHEMBL27981862 | 0.80 | — | — | |
| Methane SCHEMBL28175090 | 0.80 | — | — | |
| SCHEMBL28868217 | 0.74 | ALDH1A1 (0.79) | — | |
| SCHEMBL7754891 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL11131373 | 0.71 | — | — | |
| SCHEMBL1087685 | 0.67 | — | — | |
| Sulfuric Acid SCHEMBL27981859 | 0.65 | ALDH1A1 (0.61) | — | |
| Sulfuric Acid SCHEMBL27981856 | 0.65 | ALDH1A1 (0.61) | — | |
| Carbamic Acid SCHEMBL27337200 | 0.65 | ALDH1A1 (0.61) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0317912-B1 | Process for the preparation of 1-thiocyanatomethyl ethers | BASF AG (DE) | 1994-02-02 | — | — | EP | disclosed |
| EP-0317912-A2 | Process for the preparation of 1-thiocyanatomethyl ethers | BASF Aktiengesellschaft (DE) | 1989-05-31 | — | — | EP | disclosed |