⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14620046 | 0.84 | — | — | |
| SCHEMBL14620055 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL14620266 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL14620183 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL14620047 | 0.76 | APP (0.30) | — | |
| SCHEMBL14479769 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL14620048 | 0.74 | CYP1B1 (0.35) | — | |
| SCHEMBL14620038 | 0.71 | CEL (0.32) | — | |
| SCHEMBL14620262 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL14620051 | 0.70 | EPHX1 (0.35) | — |
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-2007003520-A1 | FLUORESCENT DIKETOPYRROLOPYRROLES AND DERIVATIVES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2007-01-11 | — | — | WO | disclosed |