⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21735351 | 0.94 | ALOX5 (0.37) | — | |
| SCHEMBL21735340 | 0.91 | S1PR1 (0.30) | — | |
| SCHEMBL21735045 | 0.91 | ALOX5 (0.30) | — | |
| SCHEMBL21735331 | 0.90 | THRB (0.35) | — | |
| SCHEMBL22628733 | 0.90 | ADRB2 (0.31) | — | |
| SCHEMBL26291496 | 0.89 | ALOX5 (0.33) | — | |
| SCHEMBL21735411 | 0.88 | TRPV1 (0.30) | — | |
| SCHEMBL21735330 | 0.87 | S1PR1 (0.37) | — | |
| SCHEMBL21735043 | 0.85 | ALOX5 (0.30) | — | |
| SCHEMBL26291490 | 0.85 | ALOX5 (0.36) | — |
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-11014901-B2 | Hydrophobic compounds for optically active devices | MERCK PATENT GMBH (DE) | 2021-05-25 | — | — | US | disclosed |
| US-20200055833-A1 | HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | MERCK PATENT GMBH (DE) | 2020-02-20 | — | — | US | disclosed |