⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL9069588 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL1921566 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL1109645 | 0.94 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL7343225 | 0.94 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL3412106 | 0.94 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL485767 | 0.94 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL1305949 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL5866617 | 0.94 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL9020541 | 0.94 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL151447 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170067172-A1 | CATALYST COATING AND PROCESS FOR PRODUCTION THEREOF | COVESTRO DEUTSCHLAND AG (DE) | 2017-03-09 | — | — | US | disclosed |
| US-20140224667-A1 | Catalyst Coating and Process for Production Thereof | NANO-X-GMBH (DE) | 2014-08-14 | — | — | US | disclosed |