⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15957429 | 1.00 | — | — | |
| SCHEMBL27316106 | 0.97 | — | — | |
| Acrylamide SCHEMBL27584874 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL24592661 | 0.78 | — | — | |
| SCHEMBL28710545 | 0.78 | — | — | |
| SCHEMBL28268163 | 0.77 | RNPEP (0.35) | — | |
| SCHEMBL20873915 | 0.74 | — | — | |
| SCHEMBL19288353 | 0.74 | — | — | |
| SCHEMBL27865461 | 0.74 | RNPEP (0.33) | — | |
| SCHEMBL27500718 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017130217-A1 | THE PRESENT INVENTION RELATES TO PROCESS FOR THE PREPARATION OF D-GLUCITOL, 1,5- ANHYDRO-1-C-[4-CHLORO-3-[[4-[[(3S)-TETRAHYDRO-3-FURANYL] OXY]PHENYL] METHYL]PHENYL]-, (1S) AND ITS CRYSTALLINE FORMS THEREOF. | MSN LABORATORIES PRIVATE LIMITED (IN) | 2017-08-03 | — | — | WO | disclosed |