⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8532010 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL13176695 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL16426067 | 0.77 | — | — | |
| SCHEMBL7564616 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL6436572 | 0.73 | — | — | |
| SCHEMBL22105278 | 0.72 | — | — | |
| SCHEMBL11882422 | 0.71 | — | — | |
| SCHEMBL15095825 | 0.71 | — | — | |
| SCHEMBL15095806 | 0.71 | — | — | |
| SCHEMBL8059531 | 0.70 | TSHR (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180317523-A1 | NANOPARTICLES, NANOEMULSIONS AND THEIR FORMATION WITH MIXING CHAMBER MICRONIZATION | BASF SE (DE) | 2018-11-08 | — | — | US | disclosed |
| EP-1677742-A1 | POWDERY PREPARATIONS CONTAINING DIETHYLAMINO-HYDROXYBENZOYL-HEXYL-BENZOATE | BASF Aktiengesellschaft (DE) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005025529-A1 | POWDERY PREPARATIONS CONTAINING DIETHYLAMINO-HYDROXYBENZOYL-HEXYL-BENZOATE | BASF AKTIENGESELLSCHAFT (DE) | 2005-03-24 | — | — | WO | disclosed |