⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19506911 | 0.81 | TDP1 (0.38) | — | |
| SCHEMBL33444 | 0.79 | — | — | |
| SCHEMBL14827534 | 0.77 | TDP1 (0.44) | — | |
| SCHEMBL166112 | 0.77 | — | — | |
| SCHEMBL3441309 | 0.75 | — | — | |
| SCHEMBL328720 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL6856668 | 0.75 | TDP1 (0.43) | — | |
| SCHEMBL177630 | 0.75 | MGAM (0.35) | — | |
| SCHEMBL15241 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL9439268 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101601864-A | Area decontamination by low-level concentration of germicidal agent | ETHICON INC (US) | 2009-12-16 | — | — | CN | disclosed |
| CN-1188174-C | Steam sterilization utilizing water-free hydrogen peroxide source | ETHICON INC (US) | 2005-02-09 | — | — | CN | disclosed |
| CN-1370602-A | Steam sterilization utilizing water-free hydrogen peroxide source | ETHICON INC (US) | 2002-09-25 | — | — | CN | disclosed |