⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1291112 | 0.86 | ALDH1A1 (0.52) | — | |
| SCHEMBL11325681 | 0.85 | TSHR (0.55) | — | |
| SCHEMBL11325974 | 0.83 | TSHR (0.58) | — | |
| SCHEMBL11327424 | 0.83 | TSHR (0.58) | — | |
| SCHEMBL1638874 | 0.80 | — | — | |
| SCHEMBL15750932 | 0.78 | — | — | |
| SCHEMBL6234359 | 0.78 | TSHR (0.47) | — | |
| SCHEMBL3990288 | 0.78 | — | — | |
| SCHEMBL28576239 | 0.78 | — | — | |
| SCHEMBL2954773 | 0.76 | — | — |
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-116457447-A | POST chemical mechanical polishing (POST CMP) cleaning compositions | 恩特格里斯公司 | 2023-07-18 | — | — | CN | disclosed |
| US-4282343-A | WITH WATER AND HYDROXY AND THIOL COMPOUNDS | CHEVRON RESEARCH COMPANY (US) | 1981-08-04 | — | — | US | disclosed |