⚠ 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 SCHEMBL5322564 | 1.00 | — | — | |
| Isopropyl Alcohol SCHEMBL14062189 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL27846275 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL10629853 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL10704262 | 0.94 | ALDH1A1 (0.75) | — | |
| Isopropyl Alcohol SCHEMBL28150453 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL27962970 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL29500440 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL29814955 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL16914724 | 0.93 | — | — |
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-2280036-B1 | METHOD FOR PRODUCING ALIPHATIC POLYESTER RESIN, AND AN ALIPHATIC POLYESTER RESIN COMPOSITION | TORAY INDUSTRIES (JP) | 2013-11-13 | — | — | EP | disclosed |
| EP-2280036-A1 | METHOD FOR PRODUCING ALIPHATIC POLYESTER RESIN, AND AN ALIPHATIC POLYESTER RESIN COMPOSITION | Toray Industries, Inc. (JP) | 2011-02-02 | — | — | EP | disclosed |