⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27927523 | 0.97 | — | — | |
| SCHEMBL28483902 | 0.76 | FDPS (0.41) | — | |
| SCHEMBL29052980 | 0.75 | SMPD1 (0.41) | — | |
| SCHEMBL8056927 | 0.71 | — | — | |
| SCHEMBL28068273 | 0.71 | — | — | |
| Phosphorylisopropane SCHEMBL9794757 | 0.71 | — | — | |
| SCHEMBL8060226 | 0.71 | FDPS (0.37) | — | |
| Phosphorylisopropane SCHEMBL11269158 | 0.71 | CTSA (0.48) | — | |
| SCHEMBL31567929 | 0.71 | — | — | |
| SCHEMBL2722876 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4944918-A | Sterilization of blood component separation devices | BECTON, DICKINSON AND COMPANY (US) | 1990-07-31 | — | — | US | claimed |