⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL464999 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL22495573 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL5932187 | 0.73 | — | — | |
| SCHEMBL3208183 | 0.73 | — | — | |
| SCHEMBL10203455 | 0.73 | — | — | |
| SCHEMBL10203446 | 0.73 | — | — | |
| SCHEMBL7412835 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL27196340 | 0.71 | ALDH1A1 (0.48) | — | |
| SCHEMBL28218438 | 0.69 | ACHE (0.30) | — | |
| SCHEMBL29374374 | 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-6861032-B2 | Adding to boiler water an oxygen scavenger including, as an effective component, a heterocyclic compound with N-substituted amino group, or the salt thereof, and alkaline agent and/or water soluble polymer | KURITA WATER INDUSTRIES LTD. (JP) | 2005-03-01 | — | — | US | disclosed |