⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18808554 | 0.57 | — | — | |
| SCHEMBL8619911 | 0.54 | — | — | |
| SCHEMBL9255514 | 0.54 | — | — | |
| SCHEMBL18677104 | 0.54 | — | — | |
| SCHEMBL12958075 | 0.50 | — | — | |
| SCHEMBL7196898 | 0.46 | — | — | |
| SCHEMBL14401341 | 0.44 | — | — | |
| SCHEMBL1900993 | 0.41 | — | — | |
| SCHEMBL28852321 | 0.41 | — | — | |
| P-Xylene SCHEMBL9834761 | 0.41 | — | — |
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-2010045188-A1 | HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-22 | — | — | WO | disclosed |