⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11031682 | 0.88 | — | — | |
| SCHEMBL33901 | 0.83 | PTPN1 (0.35) | — | |
| SCHEMBL211401 | 0.79 | PTPN1 (0.33) | — | |
| SCHEMBL48390 | 0.79 | CA1 (0.33) | — | |
| SCHEMBL6511395 | 0.75 | CA1 (0.31) | — | |
| SCHEMBL6523822 | 0.75 | CA1 (0.31) | — | |
| SCHEMBL21869918 | 0.71 | PTPN1 (0.31) | — | |
| SCHEMBL13429761 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL21869911 | 0.69 | — | — | |
| SCHEMBL21869874 | 0.69 | AKR1B1 (0.31) | — |
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-11021425-B2 | Polybrominated diphenyl-based flame retardant compounds | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2021-06-01 | — | — | US | disclosed |
| US-20200115308-A1 | POLYBROMINATED DIPHENYL-BASED FLAME RETARDANT COMPOUNDS | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2020-04-16 | — | — | US | disclosed |