⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5324357 | 0.74 | ESR1 (0.43) | — | |
| SCHEMBL6285196 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL9454247 | 0.72 | PTPRS (0.32) | — | |
| SCHEMBL4417646 | 0.72 | — | — | |
| SCHEMBL5924939 | 0.71 | NPC1 (0.41) | — | |
| SCHEMBL314750 | 0.69 | EGFR (0.47) | — | |
| SCHEMBL15515389 | 0.67 | — | — | |
| SCHEMBL3035808 | 0.67 | — | — | |
| SCHEMBL11196353 | 0.65 | — | — | |
| SCHEMBL9569252 | 0.63 | — | — |
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-2017064243-A1 | USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN GAS SENSORS | BASF SE (DE) | 2017-04-20 | — | — | WO | disclosed |
| US-20120068123-A1 | USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS | BASF SE (DE) | 2012-03-22 | — | — | US | disclosed |