⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19020713 | 0.61 | PRCP (0.53) | — | |
| SCHEMBL8011451 | 0.61 | PRCP (0.53) | — | |
| SCHEMBL24525797 | 0.61 | CYP1A2 (0.32) | — | |
| SCHEMBL22107492 | 0.60 | NOS3 (0.36) | — | |
| SCHEMBL31538361 | 0.59 | NOS3 (0.30) | — | |
| SCHEMBL18535663 | 0.58 | DRD2 (0.31) | — | |
| SCHEMBL25166112 | 0.57 | CHRM2 (0.34) | — | |
| SCHEMBL25165999 | 0.57 | CHRM2 (0.34) | — | |
| SCHEMBL25166097 | 0.57 | CHRM2 (0.34) | — | |
| SCHEMBL598989 | 0.57 | ALDH1A1 (0.31) | — |
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-2202222-A2 | Indene derivatives, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2010-06-30 | — | — | EP | disclosed |