⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL518032 | 0.69 | — | — | |
| SCHEMBL5574706 | 0.67 | — | — | |
| SCHEMBL277475 | 0.67 | — | — | |
| Methane SCHEMBL28323479 | 0.67 | — | — | |
| SCHEMBL117925 | 0.64 | — | — | |
| SCHEMBL536208 | 0.61 | — | — | |
| SCHEMBL7068378 | 0.61 | — | — | |
| SCHEMBL5613553 | 0.61 | — | — | |
| SCHEMBL44990 | 0.61 | — | — | |
| SCHEMBL250698 | 0.61 | — | — |
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-112912420-A | Polymer composition | 巴斯夫欧洲公司 | 2021-06-04 | — | — | CN | disclosed |
| WO-1996030508-A1 | ASSEMBLY OF COMPLEX MOLECULAR AND SUPRAMOLECULAR OBJECTS AND DEVICES AND USES THEREOF | RABANI ELY MICHAEL (US) | 1996-10-03 | — | — | WO | disclosed |