⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17866314 | 0.70 | HDAC9 (0.36) | — | |
| SCHEMBL28114366 | 0.66 | HDAC9 (0.39) | — | |
| SCHEMBL29025928 | 0.62 | — | — | |
| SCHEMBL21647633 | 0.61 | — | — | |
| SCHEMBL28693433 | 0.59 | — | — | |
| SCHEMBL5031067 | 0.58 | SLC6A2 (0.38) | — | |
| SCHEMBL16796978 | 0.57 | NPC1 (0.33) | — | |
| SCHEMBL301494 | 0.55 | ALDH1A1 (0.45) | — | |
| SCHEMBL20687301 | 0.54 | TSHR (0.31) | — | |
| Cyclopropane SCHEMBL27460936 | 0.54 | ALDH1A1 (0.57) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005010081-A1 | AROMATIC MONOMER-AND CONJUGATED POLYMER-METAL COMPLEXES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-02-03 | — | — | WO | disclosed |
| US-20050014023-A1 | Aromatic monomer- and conjugated polymer-metal complexes | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-01-20 | — | — | US | disclosed |