⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1141774 | 0.86 | — | — | |
| SCHEMBL11360501 | 0.79 | — | — | |
| SCHEMBL9059250 | 0.77 | — | — | |
| SCHEMBL11211995 | 0.77 | CYP2D6 (0.44) | — | |
| SCHEMBL10924279 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL6809896 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL28777934 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL11160840 | 0.73 | AKR1B1 (0.36) | — | |
| SCHEMBL21996400 | 0.73 | — | — | |
| SCHEMBL11719729 | 0.73 | MEN1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7041462-A | — | — | None | — | — | JP | disclosed |
| JP-8157447-A | — | — | None | — | — | JP | disclosed |
| JP-H08157447-A | PRODUCTION OF 2-HYDROXYMETHYLMERCAPTOBUTYRIC ACID | DAICEL CHEM IND LTD | 1996-06-18 | — | — | JP | disclosed |
| JP-H0741462-A | PRODUCTION OF 2-HYDROXYMETHYLMERCAPTOBUTYRIC ACID | DAICEL CHEM IND LTD | 1995-02-10 | — | — | JP | disclosed |