⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18382783 | 0.91 | CA4 (0.33) | — | |
| SCHEMBL10109999 | 0.80 | PTGS1 (0.44) | — | |
| SCHEMBL16712830 | 0.77 | — | — | |
| SCHEMBL31040510 | 0.74 | — | — | |
| SCHEMBL25034629 | 0.74 | — | — | |
| SCHEMBL16907308 | 0.74 | — | — | |
| SCHEMBL22386310 | 0.72 | — | — | |
| SCHEMBL18400232 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL24209050 | 0.72 | TDP1 (0.31) | — | |
| SCHEMBL16810635 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210198197-A1 | METHOD FOR SYNTHESIZING INDOMETHACIN AND ANALOGUE THEREOF | HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2021-07-01 | — | — | US | disclosed |
| WO-2012035057-A2 | PROCESS FOR DETERMINING THE SUITABILITY FOR DISTRIBUTION OF A BATCH OF A THIOPHENE-2-CARBOXAMIDE DERIVATIVE | MEDICHEM S.A. (ES) | 2012-03-22 | — | — | WO | disclosed |