⚠ 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 SCHEMBL27789703 | 0.84 | — | — | |
| Isopropyl Alcohol SCHEMBL15033448 | 0.80 | — | — | |
| Isopropyl Alcohol SCHEMBL29500440 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL29814955 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL27556507 | 0.78 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL890876 | 0.78 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL385 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL10729977 | 0.78 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL16914724 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL8329582 | 0.78 | ALDH1A1 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110612289-B | Deuterated benzimidazole compound and medical application thereof | 住友制药株式会社 | 2023-06-30 | — | — | CN | claimed |
| CN-117642376-A | Polyfatty acid salt compounds for treating substrates based on fibrous amino acids, in particular hair | 迈图高新材料有限责任公司 | 2024-03-01 | — | — | CN | disclosed |
| CN-110612289-B | Deuterated benzimidazole compound and medical application thereof | 住友制药株式会社 | 2023-06-30 | — | — | CN | disclosed |