⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2884520 | 0.83 | — | — | |
| SCHEMBL5080443 | 0.83 | — | — | |
| SCHEMBL2885206 | 0.79 | P2RX7 (0.31) | — | |
| SCHEMBL11398915 | 0.79 | — | — | |
| SCHEMBL6849544 | 0.76 | — | — | |
| SCHEMBL5185360 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL10456470 | 0.76 | GABRA1 (0.36) | — | |
| SCHEMBL358557 | 0.74 | CYP2A6 (0.39) | — | |
| SCHEMBL29646281 | 0.74 | CYP2A6 (0.39) | — | |
| SCHEMBL29164465 | 0.74 | — | — |
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-5003117-A | Process for decabromodiphenyl methane | ETHYL CORPORATION (US) | 1991-03-26 | — | — | US | disclosed |
| US-4335052-A | OXIDATION OF CORRESPONDING BENZYL HALIDE WITH TERITARY AMINE OXIDEIN PRESENCE OF WATER | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1982-06-15 | — | — | US | disclosed |