⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26559660 | 0.86 | TSHR (0.35) | — | |
| SCHEMBL9147284 | 0.79 | — | — | |
| SCHEMBL15087066 | 0.79 | — | — | |
| SCHEMBL23947988 | 0.79 | — | — | |
| SCHEMBL15087071 | 0.79 | — | — | |
| SCHEMBL23239800 | 0.79 | — | — | |
| SCHEMBL24354916 | 0.77 | — | — | |
| SCHEMBL13296092 | 0.73 | — | — | |
| SCHEMBL18569972 | 0.73 | — | — | |
| SCHEMBL20083473 | 0.73 | ALDH1A1 (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018093696-A1 | INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |