⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11423084 | 0.88 | TSHR (0.33) | — | |
| SCHEMBL11421261 | 0.86 | TSHR (0.37) | — | |
| SCHEMBL11421304 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL6473610 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL2016030 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL1027840 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL701997 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL1029400 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL135552 | 0.70 | TSHR (0.46) | — | |
| SCHEMBL28438742 | 0.70 | TSHR (0.46) | — |
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-4221811-A | Antifungal and/or antibacterial organotin compounds, and use | NEDERLANDSE CENTRALE ORGANISATIE VOOR TOEGEPAST NATUURWETENSCHAPPELIJK ONDERZOEK (NL) | 1980-09-09 | — | — | US | disclosed |