⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7494240 | 0.97 | ABCC3 (0.39) | — | |
| SCHEMBL19374667 | 0.85 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL7504869 | 0.79 | ABCC3 (0.31) | — | |
| SCHEMBL5595628 | 0.76 | LMNA (0.42) | — | |
| SCHEMBL11283692 | 0.74 | — | — | |
| SCHEMBL29232926 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5595683 | 0.74 | ABCC3 (0.44) | — | |
| SCHEMBL4894116 | 0.74 | TSHR (0.46) | — | |
| SCHEMBL20988102 | 0.71 | DPP4 (0.41) | — | |
| Water SCHEMBL27594766 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10696707-B2 | Polyene macrolide derivative | SHIONOGI & CO., LTD. (JP) | 2020-06-30 | — | — | US | disclosed |
| US-20190135847-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2019-05-09 | — | — | US | disclosed |
| US-20070245498-A1 | Diethyl Methyl Ammonium Nitriles and Detergents and Cleaning Agents Containing Said Ammonium Nitriles | REINHARDT GERD | 2007-10-25 | — | — | US | disclosed |