⚠ 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 | |
|---|---|---|---|---|
| 2-Mercaptoethanol SCHEMBL29211661 | 1.00 | TSHR (0.40) | — | |
| 2-Mercaptoethanol SCHEMBL5702 | 0.94 | — | — | |
| 2-Mercaptoethanol SCHEMBL3727625 | 0.94 | — | — | |
| 2-Mercaptoethanol SCHEMBL3423743 | 0.89 | — | — | |
| 2-Mercaptoethanol SCHEMBL1164287 | 0.89 | — | — | |
| 2-Mercaptoethanol SCHEMBL1308159 | 0.89 | — | — | |
| 2-Mercaptoethanol SCHEMBL9457616 | 0.89 | — | — | |
| 2-Mercaptoethanol SCHEMBL264689 | 0.89 | — | — | |
| 2-Mercaptoethanol SCHEMBL9279180 | 0.89 | — | — | |
| 2-Mercaptoethanol SCHEMBL10577105 | 0.89 | TSHR (0.40) | — |
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-117890360-A | Detection method for determining effective content of disulfide bond reducing agent in wool treatment fluid | 太原理工大学 | 2024-04-16 | — | — | CN | disclosed |
| US-20100304500-A1 | NANO-BIOSENSOR FOR BIOMOLECULAR RECOGNITION AND A METHOD OF SYNTHESIZING THE SAME | MOHAGHEGHPOUR ELHAM | 2010-12-02 | — | — | US | disclosed |