⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28459355 | 0.76 | TSHR (0.57) | — | |
| SCHEMBL10703000 | 0.73 | — | — | |
| Isopropyl Alcohol SCHEMBL28973857 | 0.72 | TSHR (0.52) | — | |
| Isopropyl Alcohol SCHEMBL63840 | 0.71 | TSHR (0.88) | — | |
| SCHEMBL5913624 | 0.71 | — | — | |
| SCHEMBL4333562 | 0.69 | — | — | |
| SCHEMBL21064874 | 0.69 | TSHR (1.00) | — | |
| SCHEMBL19193 | 0.69 | — | — | |
| SCHEMBL6561830 | 0.69 | TSHR (0.56) | — | |
| Isopropyl Alcohol SCHEMBL4507282 | 0.69 | TSHR (0.82) | — |
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-114100996-A | Secondary coating method for steel plate with coating defects | 山东省路桥集团有限公司 | 2022-03-01 | — | — | CN | claimed |
| CN-114100996-A | Secondary coating method for steel plate with coating defects | 山东省路桥集团有限公司 | 2022-03-01 | — | — | CN | disclosed |