⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18349201 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL10336382 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL10454083 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL11806481 | 0.80 | ALDH1A1 (0.37) | — | |
| Pivalate SCHEMBL31298532 | 0.73 | CD81 (0.36) | — | |
| SCHEMBL7303138 | 0.71 | DGAT1 (0.31) | — | |
| SCHEMBL7303141 | 0.71 | DGAT1 (0.31) | — | |
| SCHEMBL14712303 | 0.69 | — | — | |
| SCHEMBL319360 | 0.69 | — | — | |
| SCHEMBL319359 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1250189-B1 | METHOD FOR MODIFYING THE SURFACES OF FINE-POROUS ADSORBENTS | FRAUNHOFER GES FORSCHUNG (DE) | 2005-06-22 | — | — | EP | disclosed |
| EP-1250189-A1 | METHOD FOR MODIFYING THE SURFACES OF FINE-POROUS ADSORBENTS | Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) | 2002-10-23 | — | — | EP | disclosed |
| WO-2001052981-A1 | METHOD FOR MODIFYING THE SURFACES OF FINE-POROUS ADSORBENTS | Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) | 2001-07-26 | — | — | WO | disclosed |