⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11288461 | 0.92 | — | — | |
| SCHEMBL7318264 | 0.83 | — | — | |
| SCHEMBL223886 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL11193512 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL7323965 | 0.71 | — | — | |
| SCHEMBL3476016 | 0.70 | TSHR (0.43) | — | |
| SCHEMBL10941694 | 0.70 | TSHR (0.43) | — | |
| SCHEMBL28776185 | 0.70 | TSHR (0.43) | — | |
| SCHEMBL10947396 | 0.70 | TSHR (0.43) | — | |
| Water SCHEMBL27913545 | 0.70 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4918074-A | CALCIUM ANTAGONISTS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-04-17 | — | — | US | disclosed |
| EP-0217142-A2 | A polyazaheterocyclic compound | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1987-04-08 | — | — | EP | disclosed |