⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8921258 | 0.88 | GABRA1 (0.35) | — | |
| SCHEMBL29374488 | 0.80 | TAAR1 (0.32) | — | |
| SCHEMBL653542 | 0.80 | TAAR1 (0.32) | — | |
| SCHEMBL8931108 | 0.79 | TDP1 (0.33) | — | |
| SCHEMBL10933403 | 0.79 | — | — | |
| SCHEMBL29562705 | 0.76 | GABRA1 (0.44) | — | |
| SCHEMBL10712256 | 0.76 | GABRA1 (0.56) | — | |
| SCHEMBL305224 | 0.76 | GABRA1 (0.44) | — | |
| SCHEMBL29646281 | 0.74 | CYP2A6 (0.39) | — | |
| SCHEMBL358557 | 0.74 | CYP2A6 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773934-A2 | NOVEL FIRE RETARDANTS | Bromine Compounds Ltd. (IL) | 2007-04-18 | — | — | EP | claimed |
| WO-2006006154-A2 | NOVEL FIRE RETARDANTS | BROMINE COMPOUNDS LTD. (IL) | 2006-01-19 | — | — | WO | claimed |
| EP-1773934-A2 | NOVEL FIRE RETARDANTS | Bromine Compounds Ltd. (IL) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006006154-A2 | NOVEL FIRE RETARDANTS | BROMINE COMPOUNDS LTD. (IL) | 2006-01-19 | — | — | WO | 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 |
| EP-0031416-A1 | Process for the preparation of substituted benzaldehydes | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1981-07-08 | — | — | EP | disclosed |