⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3206603 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11421182 | 0.98 | TP53 (0.52) | — | |
| SCHEMBL30330447 | 0.88 | FDPS (0.44) | — | |
| SCHEMBL5297010 | 0.81 | HDAC8 (0.46) | — | |
| SCHEMBL11191706 | 0.78 | — | — | |
| SCHEMBL17094018 | 0.78 | — | — | |
| SCHEMBL13595073 | 0.78 | HDAC8 (0.48) | — | |
| SCHEMBL38659750 | 0.78 | — | — | |
| SCHEMBL9602254 | 0.78 | — | — | |
| SCHEMBL17094015 | 0.78 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024115571-A1 | POLYSILOXANE COMPOSITION | MERCK PATENT GMBH (DE) | 2024-06-06 | — | — | WO | disclosed |
| WO-2024115291-A1 | POLYSILOXANE COMPOSITION | MERCK PATENT GMBH (DE) | 2024-06-06 | — | — | WO | disclosed |
| EP-4352163-A1 | POLYSILOXANE COMPOSITION | Merck Patent GmbH (DE) | 2024-04-17 | — | — | EP | disclosed |
| WO-2024002921-A1 | POLYSILOXANE COMPOSITION | MERCK PATENT GMBH (DE) | 2024-01-04 | — | — | WO | disclosed |
| WO-2022258425-A1 | POLYSILOXANE COMPOSITION | MERCK PATENT GMBH (DE) | 2022-12-15 | — | — | WO | disclosed |