⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6420557 | 1.00 | — | — | |
| SCHEMBL12601474 | 0.82 | — | — | |
| SCHEMBL21591959 | 0.73 | HTR2A (0.40) | — | |
| SCHEMBL388479 | 0.73 | — | — | |
| SCHEMBL22458606 | 0.73 | — | — | |
| SCHEMBL1171009 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3819655 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL2189668 | 0.71 | — | — | |
| SCHEMBL24897657 | 0.71 | — | — | |
| SCHEMBL13193168 | 0.71 | — | — |
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-10505334-B2 | Apparatus and methods for generating and enhancing Smith-Purcell radiation | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2019-12-10 | — | — | US | disclosed |