⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2948853 | 0.77 | CA12 (0.43) | — | |
| Ethylenediamine SCHEMBL175648 | 0.74 | CYP1A2 (0.33) | — | |
| Ethylenediamine SCHEMBL669975 | 0.74 | CYP1A2 (0.33) | — | |
| SCHEMBL10949103 | 0.74 | — | — | |
| SCHEMBL97897 | 0.72 | GAA (0.35) | — | |
| SCHEMBL360073 | 0.72 | GAA (0.35) | — | |
| SCHEMBL648493 | 0.70 | LPAR3 (0.45) | — | |
| SCHEMBL50531 | 0.70 | LPAR3 (0.45) | — | |
| SCHEMBL258180 | 0.70 | LPAR3 (0.45) | — | |
| Ethylenediamine SCHEMBL9108079 | 0.69 | TSHR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8182868-B2 | Encapsulation of particulate contamination | MAXTOR CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| US-20100178422-A1 | ENCAPSULATION OF PARTICULATE CONTAMINATION | MAXTOR CORPORATION (US) | 2010-07-15 | — | — | US | disclosed |