⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2305714 | 1.00 | — | — | |
| SCHEMBL516403 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9511941 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL29035577 | 0.93 | — | — | |
| SCHEMBL2874080 | 0.77 | — | — | |
| Trolamine SCHEMBL2456009 | 0.77 | CYP1A2 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL9769791 | 0.74 | — | — | |
| SCHEMBL28938239 | 0.74 | — | — | |
| SCHEMBL18729286 | 0.74 | — | — | |
| SCHEMBL24602894 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0181151-B1 | A METHOD OF INHIBITING CORROSION IN AQUEOUS SYSTEMS | W.R. Grace & Co.-Conn. (US) | 1992-05-20 | — | — | EP | claimed |
| WO-2016189542-A1 | NOVEL PROCESS FOR THE PREPARATION OF SAPROPTERIN DIHYDROCHLORIDE AND ITS KEY INTERMEDIATE, L-BIOPTERIN | NATCO PHARMA LTD (IN) | 2016-12-01 | — | — | WO | disclosed |