⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23888758 | 0.80 | ALDH1A1 (0.46) | — | |
| SCHEMBL9016138 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL10573347 | 0.76 | OPRM1 (0.41) | — | |
| SCHEMBL28309365 | 0.76 | OPRM1 (0.41) | — | |
| SCHEMBL7684766 | 0.76 | — | — | |
| SCHEMBL8102533 | 0.75 | MEN1 (0.36) | — | |
| SCHEMBL10405921 | 0.74 | — | — | |
| SCHEMBL20047512 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL30792552 | 0.72 | HTR2A (0.33) | — | |
| SCHEMBL6679567 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2141148-B1 | INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME | DAIICHI SANKYO CO LTD (JP) | 2013-07-03 | — | — | EP | disclosed |