⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9527572 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL8875017 | 0.87 | — | — | |
| SCHEMBL1715996 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1715760 | 0.78 | — | — | |
| SCHEMBL5548048 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL1723972 | 0.72 | — | — | |
| SCHEMBL15295125 | 0.71 | SLC1A3 (0.33) | — | |
| SCHEMBL388854 | 0.71 | — | — | |
| SCHEMBL722029 | 0.71 | — | — | |
| SCHEMBL722030 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4640688-A1 | AVERMECTIN DERIVATIVE | Meiji Seika Pharma Co., Ltd. (JP) | 2025-10-29 | — | — | EP | disclosed |
| US-20190255055-A1 | SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF MICHIGAN | 2019-08-22 | — | — | US | disclosed |