⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31059198 | 0.79 | ANPEP (0.41) | — | |
| SCHEMBL31059208 | 0.79 | ANPEP (0.45) | — | |
| SCHEMBL27369710 | 0.70 | — | — | |
| SCHEMBL31059202 | 0.70 | S1PR4 (0.36) | — | |
| SCHEMBL31059207 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL31059204 | 0.67 | S1PR4 (0.39) | — | |
| SCHEMBL2361384 | 0.67 | — | — | |
| SCHEMBL12337679 | 0.67 | SLC6A12 (0.35) | — | |
| SCHEMBL3426867 | 0.66 | S1PR1 (0.44) | — | |
| Butyl Alcohol SCHEMBL14108750 | 0.66 | FUCA1 (0.62) | — |
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-10975076-B2 | Compositions, uses and methods for making them | Pimera, Inc. (US) | 2021-04-13 | — | — | US | disclosed |
| US-20210094952-A1 | NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM | UNITED STATES GOVERNMENT | 2021-04-01 | — | — | US | disclosed |
| US-20190233422-A1 | NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM | UNITED STATES GOVERNMENT | 2019-08-01 | — | — | US | disclosed |