⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol Diisobutanoate SCHEMBL843146 | 0.85 | TSHR (0.36) | — | |
| SCHEMBL2529910 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL2532482 | 0.82 | NAAA (0.35) | — | |
| SCHEMBL2865670 | 0.81 | — | — | |
| SCHEMBL2531107 | 0.80 | NAAA (0.39) | — | |
| SCHEMBL2530960 | 0.80 | NAAA (0.39) | — | |
| SCHEMBL9480850 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL24246399 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL8421539 | 0.78 | NAAA (0.44) | — | |
| Ethylene Glycol Diisobutanoate SCHEMBL2948671 | 0.78 | CHRNB2 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461135-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | claimed |
| US-8039450-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | claimed |
| EP-0860435-A1 | Pyridazin-3-one derivatives and their use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-08-26 | — | — | EP | disclosed |
| EP-0155580-B1 | MONOAZO DYESTUFFS, PROCESS FOR THEIR PREPARATION AND THEIR USE | CASSELLA Aktiengesellschaft (DE) | 1987-01-28 | — | — | EP | disclosed |
| EP-0155580-A1 | Monoazo dyestuffs, process for their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1985-09-25 | — | — | EP | disclosed |