⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2069806 | 0.93 | — | — | |
| SCHEMBL106730 | 0.93 | — | — | |
| Water SCHEMBL1430265 | 0.86 | — | — | |
| SCHEMBL28274494 | 0.86 | — | — | |
| SCHEMBL28981418 | 0.86 | — | — | |
| Hydrogen Sulfide SCHEMBL29281764 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL9114125 | 0.86 | — | — | |
| Sulfuric Acid SCHEMBL11687641 | 0.68 | — | — | |
| Sulfuric Acid SCHEMBL11786718 | 0.68 | CA5A (0.55) | — | |
| Hydrazinecarboxamide SCHEMBL11786565 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109762136-B | Polyurethane foaming composition, polyurethane foam, and preparation method and application thereof | 海信容声(广东)冰箱有限公司 | 2021-05-25 | — | — | CN | disclosed |
| CN-105498948-B | The method that valuable metal is reclaimed from the tungsten rough concentrate of Containing Sulfur ore deposit | 广东省资源综合利用研究所 | 2017-10-03 | — | — | CN | disclosed |
| CN-105498948-A | Method for recovering valuable metal from sulfide ore-contained tungsten rough concentrate | GUANGZHOU RES INST OF NON-FERROUS METALS | 2016-04-20 | — | — | CN | disclosed |