⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL302015 | 0.97 | — | — | |
| SCHEMBL28405190 | 0.94 | — | — | |
| Ethylene SCHEMBL21405661 | 0.92 | TSHR (0.55) | — | |
| SCHEMBL3181704 | 0.82 | MEN1 (0.52) | — | |
| SCHEMBL3185849 | 0.82 | MEN1 (0.52) | — | |
| SCHEMBL996469 | 0.82 | MEN1 (0.52) | — | |
| SCHEMBL267534 | 0.82 | MEN1 (0.52) | — | |
| SCHEMBL18548563 | 0.82 | MEN1 (0.52) | — | |
| SCHEMBL1232002 | 0.82 | MEN1 (0.52) | — | |
| SCHEMBL5049329 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117043137-A | Eutectic mixture and liquid composition | 株式会社大赛璐 | 2023-11-10 | — | — | CN | disclosed |
| EP-1144509-A2 | EXTRUDABLE MASTERBATCH | EASTMAN CHEMICAL COMPANY (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000036015-A2 | EXTRUDABLE MASTERBATCH | EASTMAN CHEMICAL COMPANY (US) | 2000-06-22 | — | — | WO | disclosed |
| EP-0442948-A1 | QUATERNARY AMMONIUM ANTISTATIC COMPOUNDS | PPG INDUSTRIES, INC. (US) | 1991-08-28 | — | — | EP | disclosed |
| WO-1990005129-A2 | QUATERNARY AMMONIUM ANTISTATIC COMPOUNDS | PPG INDUSTRIES, INC. (US) | 1990-05-17 | — | — | WO | disclosed |