⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL28322364 | 0.97 | TSHR (0.40) | — | |
| SCHEMBL3520306 | 0.92 | NAAA (0.41) | — | |
| SCHEMBL9564820 | 0.90 | NAAA (0.45) | — | |
| SCHEMBL3518739 | 0.90 | NAAA (0.45) | — | |
| SCHEMBL28799878 | 0.90 | NAAA (0.45) | — | |
| SCHEMBL9564904 | 0.90 | NAAA (0.45) | — | |
| SCHEMBL11363139 | 0.90 | NAAA (0.45) | — | |
| SCHEMBL60931 | 0.89 | NAAA (0.46) | — | |
| SCHEMBL98407 | 0.89 | TSHR (0.46) | — | |
| SCHEMBL11585668 | 0.86 | NAAA (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100190902-A1 | ALKYLTIN SULFANYL ESTER THIOLS | CHEMTURA CORPORATION (US) | 2010-07-29 | — | — | US | disclosed |
| US-RE30810-E | HEAT STABILIZERS FOR POLYMERS | THIOKOL CORPORATION (US) | 1981-12-01 | — | — | US | disclosed |
| US-RE30032-E | POLYMER STABILIZERS | CINCINNATI MILACRON CHEMICALS, INC. (US) | 1979-06-12 | — | — | US | disclosed |
| US-3979359-A | STABILIZERS FOR VINYL- AND VINYLIDENE HALIDE POLYMERS | CINCINNATI MILACRON CHEMICALS, INC. (US) | 1976-09-07 | — | — | US | disclosed |