⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL633457 | 0.83 | — | — | |
| SCHEMBL28154680 | 0.76 | — | — | |
| SCHEMBL28888749 | 0.74 | — | — | |
| SCHEMBL1575616 | 0.71 | — | — | |
| SCHEMBL1576090 | 0.71 | — | — | |
| SCHEMBL28099442 | 0.70 | — | — | |
| SCHEMBL2818480 | 0.67 | — | — | |
| Isobutane SCHEMBL3986587 | 0.65 | — | — | |
| Methoxymethane SCHEMBL9757875 | 0.65 | — | — | |
| Methoxymethane SCHEMBL5410419 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115975150-B | Organosilicon modified thermoplastic polyurethane resin for 3D printing and preparation method thereof | 淄博国创中心先进车用材料技术创新中心 | 2023-07-18 | — | — | CN | claimed |
| CN-115975150-B | Organosilicon modified thermoplastic polyurethane resin for 3D printing and preparation method thereof | 淄博国创中心先进车用材料技术创新中心 | 2023-07-18 | — | — | CN | disclosed |