⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48111 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL3550507 | 0.86 | — | — | |
| SCHEMBL124683 | 0.86 | — | — | |
| SCHEMBL183038 | 0.86 | — | — | |
| Isopropyl Alcohol SCHEMBL1270879 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL1863656 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3550501 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL2985745 | 0.86 | — | — | |
| SCHEMBL22162 | 0.86 | — | — | |
| SCHEMBL3427685 | 0.86 | ALDH1A1 (0.62) | — |
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-105648594-A | Low-aberration polyester flax-like differential-shrinkage composite filament and preparation method thereof | 江苏恒力化纤股份有限公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-105463608-A | High-strength safety belt polyester industrial yarn and preparation method thereof | Jiangsu hengli chemical fibre co ltd | 2016-04-06 | — | — | CN | disclosed |