⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5445544 | 0.82 | — | — | |
| SCHEMBL5445548 | 0.82 | — | — | |
| SCHEMBL8078492 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL22575470 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL9796357 | 0.79 | — | — | |
| Water SCHEMBL31456252 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL22771803 | 0.79 | — | — | |
| SCHEMBL24426107 | 0.79 | — | — | |
| SCHEMBL12156822 | 0.77 | — | — | |
| SCHEMBL15901538 | 0.72 | TSHR (0.32) | — |
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 |