⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1537622 | 0.96 | — | — | |
| SCHEMBL3797256 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28528986 | 0.93 | — | — | |
| SCHEMBL15063009 | 0.69 | — | — | |
| SCHEMBL4661237 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL11444816 | 0.69 | — | — | |
| SCHEMBL8763985 | 0.69 | — | — | |
| SCHEMBL4400666 | 0.67 | — | — | |
| SCHEMBL8827888 | 0.65 | ADRB2 (0.41) | — | |
| SCHEMBL818291 | 0.65 | TSHR (0.33) | — |
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-114057925-B | Preparation method of high-density polyethylene resin for film | 中国石油化工股份有限公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-114057925-A | Preparation method of high-density polyethylene resin for film | 中国石油化工股份有限公司 | 2022-02-18 | — | — | CN | disclosed |