⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6552362 | 0.77 | — | — | |
| SCHEMBL9298973 | 0.77 | — | — | |
| SCHEMBL9389983 | 0.72 | — | — | |
| SCHEMBL38662617 | 0.69 | — | — | |
| Perfluorocyclobutane SCHEMBL16111781 | 0.68 | — | — | |
| SCHEMBL9620489 | 0.65 | MEN1 (0.36) | — | |
| SCHEMBL11221054 | 0.62 | — | — | |
| SCHEMBL6793240 | 0.62 | MEN1 (0.39) | — | |
| SCHEMBL7654191 | 0.62 | — | — | |
| SCHEMBL9694914 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0194009-B1 | PERFLUOROPOLYCYCLOALKANES | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1991-03-20 | — | — | EP | disclosed |
| US-4739112-A | HEAT TRANSFER FLUID, CHEMICAL INTERMEDIATES | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1988-04-19 | — | — | US | disclosed |
| EP-0194009-A2 | Perfluoropolycycloalkanes | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1986-09-10 | — | — | EP | disclosed |