⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1323944 | 0.78 | — | — | |
| SCHEMBL13613416 | 0.74 | — | — | |
| SCHEMBL29655950 | 0.72 | — | — | |
| SCHEMBL1323632 | 0.71 | — | — | |
| SCHEMBL31189820 | 0.67 | — | — | |
| SCHEMBL9222996 | 0.67 | — | — | |
| SCHEMBL16499795 | 0.67 | HTT (0.33) | — | |
| SCHEMBL16619285 | 0.67 | — | — | |
| SCHEMBL7671805 | 0.67 | — | — | |
| SCHEMBL29501869 | 0.65 | — | — |
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-5081317-A | 1-BROMO-3-CHLORO-1,2-DIARYL-2-PROPANOLS, THE STEREO-SELECTIVE PREPARATION OF ERYTHRO-1-BROMO-3-CHLORO-1,2-DIARYL-2-PROPANOLS AND THE CONVERSION THEREOF INTO AZOLYLMETHYLOXIRANES | BASF AKTIENGESELLSCHAFT (DE) | 1992-01-14 | — | — | US | disclosed |