⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4813303 | 0.73 | KCNN4 (0.38) | — | |
| SCHEMBL4945410 | 0.71 | TDP1 (0.37) | — | |
| SCHEMBL10456355 | 0.69 | — | — | |
| SCHEMBL4812198 | 0.69 | CA1 (0.31) | — | |
| SCHEMBL9247632 | 0.65 | ALDH1A1 (0.33) | — | |
| Perbromobenzene SCHEMBL27124 | 0.65 | ALDH1A1 (0.50) | — | |
| SCHEMBL6855998 | 0.64 | — | — | |
| SCHEMBL2007725 | 0.63 | GABRA1 (0.31) | — | |
| SCHEMBL11129503 | 0.58 | — | — | |
| SCHEMBL8573413 | 0.58 | — | — |
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 |