⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL2855022 | 0.95 | — | — | |
| Propanol SCHEMBL29500439 | 0.94 | — | — | |
| Propanol SCHEMBL1478 | 0.94 | — | — | |
| Propanol SCHEMBL12614801 | 0.94 | ALDH1A1 (0.58) | — | |
| Propanol SCHEMBL8328980 | 0.94 | ALDH1A1 (0.58) | — | |
| Propanol SCHEMBL29500448 | 0.94 | — | — | |
| Propanol SCHEMBL29558344 | 0.94 | — | — | |
| Propanol SCHEMBL1133211 | 0.94 | — | — | |
| Propanol SCHEMBL15524986 | 0.94 | ALDH1A1 (0.58) | — | |
| Butane SCHEMBL11121791 | 0.91 | ALDH1A1 (0.47) | — |
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-6153196-A | HAIR CONDITIONERS, SHAMPOOS, STYLING PREPARATIONS, HAIR TREATMENT COMPOSITION COMPRISING AT LEAST ONE WAX INGREDIENT SELECTED FROM JASMINE WAX, MIMOSA WAX, NARCISSUS WAX, BITTER ORANGE WAX AND WILD CAMOMILE WAX | WELLA AKTIENGESELLSCHAFT (DE) | 2000-11-28 | — | — | US | claimed |
| CN-118359397-A | High-workability polycarboxylate superplasticizer and preparation method thereof | 四川蜀道建筑科技有限公司 | 2024-07-19 | — | — | CN | disclosed |