⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21734985 | 0.83 | — | — | |
| SCHEMBL21734938 | 0.81 | MAOB (0.33) | — | |
| SCHEMBL22628766 | 0.79 | — | — | |
| SCHEMBL21735145 | 0.79 | HRH3 (0.30) | — | |
| SCHEMBL21735495 | 0.78 | RAB9A (0.32) | — | |
| SCHEMBL21735166 | 0.77 | — | — | |
| SCHEMBL21735124 | 0.77 | — | — | |
| SCHEMBL21735164 | 0.77 | POLB (0.35) | — | |
| SCHEMBL21735813 | 0.75 | MTNR1A (0.42) | — | |
| SCHEMBL21735814 | 0.74 | CASR (0.33) | — |
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-11014901-B2 | Hydrophobic compounds for optically active devices | MERCK PATENT GMBH (DE) | 2021-05-25 | — | — | US | disclosed |
| EP-3583091-B1 | HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | MERCK PATENT GMBH (DE) | 2020-11-04 | — | — | EP | disclosed |
| US-20200055833-A1 | HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | MERCK PATENT GMBH (DE) | 2020-02-20 | — | — | US | disclosed |