⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL438404 | 0.67 | — | — | |
| SCHEMBL25238888 | 0.64 | — | — | |
| SCHEMBL14760146 | 0.62 | ALDH1A1 (0.41) | — | |
| SCHEMBL217230 | 0.59 | — | — | |
| Propane SCHEMBL4641051 | 0.58 | — | — | |
| SCHEMBL14777329 | 0.58 | — | — | |
| SCHEMBL3626203 | 0.55 | — | — | |
| SCHEMBL140787 | 0.55 | — | — | |
| SCHEMBL566706 | 0.55 | — | — | |
| Alcohol SCHEMBL14125388 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0850196-A1 | PROCESS FOR THE PRODUCTION OF ORGANOFUNCTIONALISED AEROGELS | Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) | 1998-07-01 | — | — | EP | disclosed |
| WO-1997010177-A1 | PROCESS FOR THE PRODUCTION OF ORGANOFUNCTIONALISED AEROGELS | HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) | 1997-03-20 | — | — | WO | disclosed |