⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1101331 | 0.72 | — | — | |
| SCHEMBL515608 | 0.71 | — | — | |
| SCHEMBL11016770 | 0.71 | — | — | |
| SCHEMBL30075 | 0.71 | — | — | |
| SCHEMBL9341851 | 0.69 | — | — | |
| SCHEMBL4090015 | 0.69 | — | — | |
| SCHEMBL8904055 | 0.64 | — | — | |
| SCHEMBL8382815 | 0.63 | — | — | |
| SCHEMBL11216436 | 0.62 | — | — | |
| SCHEMBL10000892 | 0.62 | — | — |
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-6051542-A | Post foaming cleaning compositions comprising isopentane | COLGATE PALMOLIVE COMPANY (US) | 2000-04-18 | — | — | US | disclosed |
| US-4273665-A | HYDROLYSIS PRODUCTS OF 1-(2-HYDROXYALKYL)-2-ALKYL (OR ALKENYL) IMIDAZOLINES AND BORATED ADDUCTS THEREOF | MOBIL OIL CORPORATION (US) | 1981-06-16 | — | — | US | disclosed |