⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5804866 | 0.86 | TSHR (0.30) | — | |
| SCHEMBL234746 | 0.67 | — | — | |
| Methylene Chloride SCHEMBL23243739 | 0.67 | — | — | |
| SCHEMBL18873228 | 0.67 | TSHR (0.30) | — | |
| SCHEMBL6067642 | 0.67 | — | — | |
| SCHEMBL11267132 | 0.65 | — | — | |
| SCHEMBL5916128 | 0.64 | — | — | |
| SCHEMBL3852652 | 0.64 | — | — | |
| SCHEMBL1478279 | 0.64 | TDP1 (0.32) | — | |
| SCHEMBL8331605 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | WO | disclosed |