⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11330536 | 0.90 | — | — | |
| SCHEMBL11340108 | 0.87 | ACHE (0.30) | — | |
| SCHEMBL11339259 | 0.87 | ACHE (0.30) | — | |
| SCHEMBL11336966 | 0.87 | ACHE (0.30) | — | |
| SCHEMBL11335998 | 0.87 | ACHE (0.30) | — | |
| SCHEMBL11429753 | 0.76 | — | — | |
| SCHEMBL11434423 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL5953560 | 0.67 | — | — | |
| SCHEMBL11423084 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL11427331 | 0.65 | — | — |
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 |