⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12319889 | 0.79 | — | — | |
| SCHEMBL16156509 | 0.75 | — | — | |
| SCHEMBL15975751 | 0.71 | — | — | |
| SCHEMBL564758 | 0.71 | — | — | |
| SCHEMBL24421687 | 0.60 | — | — | |
| SCHEMBL12675478 | 0.60 | — | — | |
| SCHEMBL5498046 | 0.58 | — | — | |
| SCHEMBL15740641 | 0.58 | — | — | |
| SCHEMBL12675479 | 0.56 | — | — | |
| SCHEMBL20158952 | 0.56 | — | — |
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-2018134842-A1 | PROCESS FOR THE PREPARATION OF CARBAMIC ACID, N,N'-[[1,1'-BIPHENYL] -4,4'-DIYLBIS]- 1 H-IMIDAZOLE-5,2 DIYI-(2S)-2,1-PYRROLIDINEDIYL[(1 S)-1-(1-METHYLETHYL)-2-OXO-2,1-ETHANEDIYL]]] BIS-,C,C'-DIMETHYL ESTER AND ITS SALTS AND POLYMORPHS | MSN LABORATORIES PRIVATE LIMITED, R & D CENTER (IN) | 2018-07-26 | — | — | WO | disclosed |