⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3684320 | 0.81 | CES2 (0.30) | — | |
| SCHEMBL2113419 | 0.78 | HSD11B1 (0.32) | — | |
| SCHEMBL3482751 | 0.78 | HSD11B1 (0.32) | — | |
| SCHEMBL6359438 | 0.71 | GRM2 (0.33) | — | |
| SCHEMBL16026846 | 0.70 | SLC1A2 (0.33) | — | |
| SCHEMBL210214 | 0.70 | CES2 (0.36) | — | |
| SCHEMBL3123620 | 0.69 | GRM2 (0.31) | — | |
| SCHEMBL29764475 | 0.68 | LMNA (0.37) | — | |
| SCHEMBL27764954 | 0.67 | EPHX1 (0.31) | — | |
| SCHEMBL6276923 | 0.67 | — | — |
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-20050010019-A1 | Diaminodicarboxylic acids and intermediates thereof | MITSUI CHEMICALS, INC. (JP) | 2005-01-13 | — | — | US | disclosed |
| EP-1460058-A1 | DIAMINODICARBOXYLIC ACIDS AND INTERMEDIATES THEREOF | Mitsui Chemicals, Inc. (JP) | 2004-09-22 | — | — | EP | disclosed |