⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1252355 | 0.75 | — | — | |
| SCHEMBL1101331 | 0.72 | — | — | |
| SCHEMBL87334 | 0.70 | TSHR (0.43) | — | |
| SCHEMBL2241721 | 0.70 | TSHR (0.43) | — | |
| SCHEMBL10554896 | 0.69 | ALDH1A1 (0.53) | — | |
| SCHEMBL5616883 | 0.69 | — | — | |
| SCHEMBL252218 | 0.69 | — | — | |
| SCHEMBL10553508 | 0.69 | ALDH1A1 (0.53) | — | |
| SCHEMBL9335555 | 0.69 | ALDH1A1 (0.53) | — | |
| SCHEMBL9341851 | 0.69 | — | — |
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-104119477-B | Resist polymer and comprise the anti-corrosion agent composition of this polymer | 锦湖石油化学株式会社 | 2016-07-13 | — | — | CN | claimed |
| US-20110218142-A1 | Inhibitors of Dipeptidylpeptidase IV | TRUSTEES OF TUFTS COLLEGE (US) | 2011-09-08 | — | — | US | disclosed |
| US-5130322-A | CHROMAN DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-14 | — | — | US | disclosed |