⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL41886 | 0.79 | — | — | |
| SCHEMBL1717828 | 0.79 | HMGCR (0.41) | — | |
| SCHEMBL17559271 | 0.77 | HMGCR (0.39) | — | |
| Hydrochloric Acid SCHEMBL28883817 | 0.77 | HMGCR (0.39) | — | |
| SCHEMBL8903971 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL11284793 | 0.77 | DPP4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL1092821 | 0.77 | HMGCR (0.39) | — | |
| SCHEMBL759391 | 0.77 | — | — | |
| SCHEMBL1908529 | 0.74 | — | — | |
| Acetic Acid SCHEMBL20839531 | 0.74 | CTH (0.42) | — |
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-0287605-A1 | AMINO-2 ETHANETHIOL DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1988-10-26 | — | — | EP | disclosed |
| WO-1988002363-A1 | AMINO-2 ETHANETHIOL DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE M (FR) | 1988-04-07 | — | — | WO | disclosed |