⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL910036 | 0.84 | — | — | |
| SCHEMBL6297157 | 0.79 | — | — | |
| SCHEMBL27603613 | 0.73 | POLB (0.33) | — | |
| SCHEMBL11869057 | 0.71 | — | — | |
| SCHEMBL7203617 | 0.71 | — | — | |
| SCHEMBL5346364 | 0.69 | NPSR1 (0.31) | — | |
| SCHEMBL630913 | 0.69 | NPSR1 (0.31) | — | |
| SCHEMBL1320328 | 0.69 | ELANE (0.30) | — | |
| SCHEMBL11863981 | 0.69 | ELANE (0.30) | — | |
| SCHEMBL645028 | 0.68 | — | — |
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-6965035-B1 | Compacted forms of halogenated hydantoins | ALBEMARLE CORPORATION | 2005-11-15 | — | — | US | disclosed |
| US-20030228341-A1 | Microbiological control in aqueous systems | HOWARTH JONATHAN N (US) | 2003-12-11 | — | — | US | disclosed |