⚠ 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 | |
|---|---|---|---|---|
| 1-Propanethiol SCHEMBL5339688 | 0.87 | — | — | |
| SCHEMBL27946387 | 0.82 | — | — | |
| SCHEMBL2904 | 0.82 | — | — | |
| 1-Propanethiol SCHEMBL2784403 | 0.80 | — | — | |
| Methylsulfanylmethane SCHEMBL23929109 | 0.78 | — | — | |
| Methylsulfanylmethane SCHEMBL21798743 | 0.78 | TDP1 (0.33) | — | |
| Methylsulfanylmethane SCHEMBL21798772 | 0.78 | TDP1 (0.33) | — | |
| Methylsulfanylmethane SCHEMBL21798750 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL8500942 | 0.76 | — | — | |
| SCHEMBL3860578 | 0.76 | — | — |
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-5118871-A | Minimizing deactivation of ether synthesis catalyst | EXXON CHEMICAL PATENTS INC (US) | 1992-06-02 | — | — | US | disclosed |