⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27734554 | 1.00 | — | — | |
| SCHEMBL28417639 | 0.97 | — | — | |
| SCHEMBL11314128 | 0.97 | LMNA (0.30) | — | |
| SCHEMBL3358239 | 0.77 | — | — | |
| SCHEMBL6378778 | 0.77 | — | — | |
| SCHEMBL8852660 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27994744 | 0.74 | — | — | |
| SCHEMBL8817357 | 0.74 | — | — | |
| SCHEMBL27273557 | 0.71 | — | — | |
| SCHEMBL2162258 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999013040-A1 | DETERGENT COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1999-03-18 | — | — | WO | claimed |
| CN-112074526-A | As therapeutic radiopharmaceuticals targeting prostate specific membrane antigens177Lu-DOTA-HYNIC-iPSMA | 国家核研究所 | 2020-12-11 | — | — | CN | disclosed |
| US-20140271917-A1 | CONTROLLED AND PREDICTABLE 2-PATH-WAY DECOMPOSITION OF THERMODYNAMICALLY DOUBLE UNSTABLE OXIDISING AGENTS | F_OXYDE GMBH (AT) | 2014-09-18 | — | — | US | disclosed |
| EP-2777717-A2 | Controlled and predictable 2-path-way decomposition of thermodynamically double unstable oxidising agents | f-Oxyde GmbH (AT) | 2014-09-17 | — | — | EP | disclosed |