⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11589496 | 0.93 | TSHR (0.50) | — | |
| SCHEMBL1836 | 0.93 | — | — | |
| SCHEMBL31506325 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL3741978 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL679855 | 0.89 | — | — | |
| SCHEMBL4362828 | 0.89 | — | — | |
| Helium SCHEMBL17199868 | 0.89 | — | — | |
| Butadiene SCHEMBL19305190 | 0.86 | — | — | |
| SCHEMBL3334154 | 0.83 | — | — | |
| Cyclohexane SCHEMBL11499090 | 0.83 | TSHR (0.41) | — |
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-113462443-A | Diesel antiwear agent composition, preparation method thereof and diesel composition | 中国石油化工股份有限公司 | 2021-10-01 | — | — | CN | disclosed |
| US-20070079460-A1 | Toilet cleaning device | CUT STRAIGHT LIMITED (GB) | 2007-04-12 | — | — | US | disclosed |