⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL899789 | 1.00 | — | — | |
| SCHEMBL190067 | 0.79 | CYP2D6 (1.00) | — | |
| SCHEMBL213024 | 0.79 | CYP2D6 (1.00) | — | |
| SCHEMBL3134391 | 0.79 | CYP2D6 (1.00) | — | |
| SCHEMBL28168136 | 0.79 | CYP2D6 (1.00) | — | |
| SCHEMBL21043954 | 0.77 | ALDH1A1 (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL25317376 | 0.76 | CYP2D6 (0.92) | — | |
| Hydrochloric Acid SCHEMBL10880042 | 0.76 | CYP2D6 (0.92) | — | |
| Ammonia Solution, Strong SCHEMBL25317379 | 0.76 | CYP2D6 (0.92) | — | |
| SCHEMBL4564186 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5338859-A | Reacting a hydantoin with a calcium base; crystallization; precipitation; separation | HOECHST CELANESE CORPORATION (US) | 1994-08-16 | — | — | US | claimed |
| US-4436910-A | SAPONIFICATION | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1984-03-13 | — | — | US | claimed |
| US-20120184482-A1 | Novel Ubiquitin-Isopeptide Probes | HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) | 2012-07-19 | — | — | US | disclosed |