⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL11313867 | 0.82 | — | — | |
| Tetrahydrothiophene SCHEMBL5712295 | 0.79 | — | — | |
| SCHEMBL14698201 | 0.78 | — | — | |
| SCHEMBL27207 | 0.78 | — | — | |
| Tetrahydrothiophene SCHEMBL8372033 | 0.76 | — | — | |
| Tetrahydrothiophene SCHEMBL15008351 | 0.76 | — | — | |
| Alcohol SCHEMBL5585358 | 0.73 | ALDH1A1 (0.40) | — | |
| Propane SCHEMBL3672248 | 0.73 | — | — | |
| Cyclopropane SCHEMBL460489 | 0.72 | — | — | |
| SCHEMBL19712057 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113307751-A | Process for producing aliphatic mercaptan | 保定北瑞甾体生物有限公司 | 2021-08-27 | — | — | CN | disclosed |
| CN-113307750-A | Process for producing aliphatic mercaptan | 保定北瑞甾体生物有限公司 | 2021-08-27 | — | — | CN | disclosed |