⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL518115 | 0.81 | — | — | |
| SCHEMBL2266180 | 0.69 | CA2 (0.40) | — | |
| SCHEMBL27985290 | 0.69 | ACHE (0.38) | — | |
| SCHEMBL1004500 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL11553167 | 0.67 | APEX1 (0.33) | — | |
| SCHEMBL6411348 | 0.65 | NOTUM (0.32) | — | |
| SCHEMBL23658918 | 0.64 | ADRB2 (0.39) | — | |
| SCHEMBL11525099 | 0.64 | APEX1 (0.33) | — | |
| SCHEMBL1004499 | 0.64 | — | — | |
| SCHEMBL10434111 | 0.64 | ACHE (0.43) | — |
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-5225573-A | Oxidizing in the liquid phase | BROMINE COMPOUNDS LIMITED (IL) | 1993-07-06 | — | — | US | disclosed |
| US-4107104-A | TETRABROMOXYLENEDIOL - FLAME-RETARDANT FOR POLYURETHANES | ETHYL CORPORATION (US) | 1978-08-15 | — | — | US | disclosed |