⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5650143 | 0.92 | ESR1 (0.31) | — | |
| SCHEMBL20912531 | 0.89 | — | — | |
| SCHEMBL20912526 | 0.89 | — | — | |
| SCHEMBL28490406 | 0.85 | — | — | |
| SCHEMBL5647074 | 0.84 | ESR1 (0.33) | — | |
| SCHEMBL6414974 | 0.84 | — | — | |
| SCHEMBL12680910 | 0.83 | — | — | |
| SCHEMBL18094271 | 0.82 | ESR1 (0.37) | — | |
| SCHEMBL10609352 | 0.82 | ESR1 (0.37) | — | |
| SCHEMBL30003108 | 0.82 | ESR1 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230303840-A1 | THIXOTROPIC POLYSILOXANE PASTES FOR ADDITIVE MANUFACTURING | HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC | 2023-09-28 | — | — | US | disclosed |
| US-11680167-B2 | Thixotropic polysiloxane pastes for additive manufacturing | HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) | 2023-06-20 | — | — | US | disclosed |
| US-8273842-B2 | Process for production of cyclic polyorganosiloxane, curing agent, curable composition, and cured product of the curable composition | KANEKA CORPORATION (JP) | 2012-09-25 | — | — | US | disclosed |