⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4945409 | 0.75 | — | — | |
| SCHEMBL8566493 | 0.75 | — | — | |
| SCHEMBL2880143 | 0.69 | — | — | |
| SCHEMBL10749049 | 0.69 | — | — | |
| Perbromobenzene SCHEMBL27124 | 0.65 | ALDH1A1 (0.50) | — | |
| SCHEMBL10456689 | 0.64 | — | — | |
| SCHEMBL5184768 | 0.64 | — | — | |
| SCHEMBL4447931 | 0.63 | — | — | |
| SCHEMBL5331616 | 0.61 | — | — | |
| SCHEMBL9719529 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6780348-B1 | COMPOSITION COMPRISING MIXTURE OF POLYBROMODIPHENYLALKANE IN WHICH PHENYL GROUPS ARE SUBSTITUTED BY AT LEAST 6 BROMINE ATOMS AND ALKANE PORTION OF MOLECULE CONTAINS 1 TO 3 CARBON ATOMS, AND TETRABROMOBISPHENOL-A-BIS(BROMOALKYL ETHER) | ALBEMARLE CORPORATION | 2004-08-24 | — | — | US | disclosed |