⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1411802 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31124707 | 0.98 | HRH1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL2218614 | 0.98 | HRH1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL1716133 | 0.98 | HRH1 (0.52) | — | |
| SCHEMBL493397 | 0.81 | HRH1 (0.52) | — | |
| SCHEMBL2385207 | 0.79 | KDM4E (0.57) | — | |
| Hydrochloric Acid SCHEMBL27710379 | 0.79 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL28304769 | 0.78 | HRH1 (0.55) | — | |
| SCHEMBL9221758 | 0.78 | HRH1 (0.61) | — | |
| SCHEMBL3391020 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3990460-A1 | E3 LIGASE BINDERS AND USES THEREOF | Dana-Farber Cancer Institute, Inc. (US) | 2022-05-04 | — | — | EP | disclosed |