⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24119836 | 0.97 | — | — | |
| SCHEMBL24406567 | 0.88 | — | — | |
| SCHEMBL16092516 | 0.77 | GPBAR1 (0.40) | — | |
| SCHEMBL20644727 | 0.74 | — | — | |
| SCHEMBL20865056 | 0.73 | — | — | |
| SCHEMBL16092464 | 0.71 | GPBAR1 (0.37) | — | |
| SCHEMBL22102724 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL21691073 | 0.66 | — | — | |
| SCHEMBL16092506 | 0.65 | PRSS1 (0.33) | — | |
| SCHEMBL19240782 | 0.63 | — | — |
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-20220220048-A1 | MOLECULAR SIEVES MEDIATED UNSATURATED HYDROCARBON SEPARATION AND RELATED COMPOSITIONS, MATERIALS, METHODS AND SYSTEMS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2022-07-14 | — | — | US | disclosed |
| US-20200377432-A1 | MOLECULAR SIEVES MEDIATED UNSATURATED HYDROCARBON SEPARATION AND RELATED COMPOSITIONS, MATERIALS, METHODS AND SYSTEMS | CALIFORNIA INSTITUTE TECHNOLOGY | 2020-12-03 | — | — | US | disclosed |