⚠ 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 | |
|---|---|---|---|---|
| Thioglycolic Acid SCHEMBL331620 | 1.00 | FFAR3 (0.39) | — | |
| Thioglycolic Acid SCHEMBL331396 | 0.88 | FFAR3 (0.35) | — | |
| Thioglycolic Acid SCHEMBL18423900 | 0.88 | — | — | |
| Thioglycolic Acid SCHEMBL9449577 | 0.82 | — | — | |
| Thioglycolic Acid SCHEMBL3079958 | 0.82 | — | — | |
| Thioglycolic Acid SCHEMBL874629 | 0.82 | — | — | |
| Thioglycolic Acid SCHEMBL21017 | 0.82 | — | — | |
| Thioglycolic Acid SCHEMBL134322 | 0.82 | LMNA (0.46) | — | |
| Thioglycolic Acid SCHEMBL331990 | 0.81 | FFAR3 (0.42) | — | |
| Thioglycolic Acid SCHEMBL27470848 | 0.81 | FFAR3 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104011103-B | Polymerisable compound, its optical goods obtained and the method producing described optical goods | 三井化学株式会社 | 2016-08-24 | — | — | CN | disclosed |
| CN-105793738-A | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS, OPTICAL MATERIAL AND METHOD FOR PRODUCING SAME | 三井化学株式会社 | 2016-07-20 | — | — | CN | disclosed |
| CN-105793737-A | Polymerizable composition for optical materials | 三井化学株式会社 | 2016-07-20 | — | — | CN | disclosed |