⚠ 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 SCHEMBL29866422 | 1.00 | — | — | |
| Isopropyl Alcohol SCHEMBL8329582 | 0.93 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL29500440 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL607689 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL10729977 | 0.93 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL890876 | 0.93 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL29814955 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL385 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL16914724 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL23581430 | 0.86 | ALDH1A1 (0.86) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025067227-A1 | PREPARATION METHOD FOR CBL-B REGULATOR, AND USE | 浙江华海药业股份有限公司 | 2025-04-03 | — | — | WO | disclosed |