⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20686 | 0.98 | — | — | |
| SCHEMBL7976030 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL11186626 | 0.93 | KAT2B (0.50) | — | |
| Hydrochloric Acid SCHEMBL11710308 | 0.93 | KAT2B (0.50) | — | |
| Hydrochloric Acid SCHEMBL11190142 | 0.93 | KAT2B (0.50) | — | |
| Hydrochloric Acid SCHEMBL158635 | 0.93 | KAT2B (0.50) | — | |
| Hydrochloric Acid SCHEMBL410386 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL11188349 | 0.93 | KAT2B (0.50) | — | |
| Hydrochloric Acid SCHEMBL11714085 | 0.93 | KAT2B (0.50) | — | |
| Hydrochloric Acid SCHEMBL9559222 | 0.93 | KAT2B (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001014043-A1 | IMMOBILISATION OF A BIOCIDE ON ACTIVATED CARBON | CALGON CARBON CORPORATION (US) | 2001-03-01 | — | — | WO | claimed |