⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1899759 | 0.83 | ALDH1A1 (0.47) | — | |
| SCHEMBL14842937 | 0.83 | ALDH1A1 (0.47) | — | |
| Ethylene SCHEMBL11644957 | 0.78 | ALDH1A1 (0.42) | — | |
| Ethylene SCHEMBL11644945 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL4564186 | 0.75 | — | — | |
| SCHEMBL5754115 | 0.73 | — | — | |
| SCHEMBL291687 | 0.73 | — | — | |
| SCHEMBL7175824 | 0.73 | — | — | |
| SCHEMBL2339298 | 0.73 | — | — | |
| SCHEMBL3977211 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4143159-A | SKIN-CARE AGENTS CONTAINING HYDROXYALKYL CARBOXAMIDES AND PROCESS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1979-03-06 | — | — | US | claimed |
| CN-1694713-A | Liquid stable compositions of oxazaphosphorine and mesna | BHARAT SERUMS & VACCINES LTD (IN) | 2005-11-09 | — | — | CN | disclosed |
| US-4540626-A | Polyhydroxyalkyl polycarbonamides for the production of flame-resistant polyurethane rigid foams and integral foams | BAYER AG (DE) | 1985-09-10 | — | — | US | disclosed |
| US-4143159-A | SKIN-CARE AGENTS CONTAINING HYDROXYALKYL CARBOXAMIDES AND PROCESS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1979-03-06 | — | — | US | disclosed |