⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20865249 | 0.74 | BRD1 (0.32) | — | |
| SCHEMBL21262944 | 0.74 | HPRT1 (0.42) | — | |
| SCHEMBL20865199 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL16728719 | 0.71 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL21262981 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL20865051 | 0.68 | — | — | |
| SCHEMBL20752001 | 0.67 | PGR (0.35) | — | |
| SCHEMBL20865229 | 0.67 | — | — | |
| SCHEMBL20865053 | 0.65 | ELANE (0.32) | — | |
| SCHEMBL20201467 | 0.65 | ADRB1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190100544-A1 | ORGANIC LUMINESCENT MATERIALS CONTAINING TETRAPHENYLENE LIGANDS | Beijing Summer Sprout Technology Co., Ltd. (CN) | 2019-04-04 | — | — | US | disclosed |