⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6562529 | 0.97 | EPHX1 (0.46) | — | |
| SCHEMBL3896407 | 0.92 | — | — | |
| SCHEMBL3893416 | 0.80 | — | — | |
| SCHEMBL4370478 | 0.75 | CA12 (0.40) | — | |
| SCHEMBL28483773 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL44307 | 0.70 | — | — | |
| SCHEMBL5537085 | 0.70 | — | — | |
| SCHEMBL293422 | 0.70 | — | — | |
| SCHEMBL9581730 | 0.70 | — | — | |
| SCHEMBL295490 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080039625-A1 | Screening Methods | LAUTENS MARK | 2008-02-14 | — | — | US | disclosed |
| EP-1817283-A1 | 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF | Lautens, Mark (CA) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006047888-A1 | 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF | LAUTENS MARK (CA) | 2006-05-11 | — | — | WO | disclosed |