⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8823395 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL28682297 | 0.79 | — | — | |
| SCHEMBL8823392 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL28016063 | 0.78 | — | — | |
| SCHEMBL265515 | 0.75 | — | — | |
| SCHEMBL14836590 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL14836593 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL11465249 | 0.75 | — | — | |
| SCHEMBL1224792 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL10903147 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210221762-A1 | SYSTEMS AND PROCESSES FOR PRODUCING ORGANIC ACIDS DIRECTLY FROM BETA-LACTONES | NOVOMER, INC. | 2021-07-22 | — | — | US | disclosed |