⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27920554 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL28731821 | 0.96 | — | — | |
| SCHEMBL1641232 | 0.76 | — | — | |
| Bromide SCHEMBL31122068 | 0.74 | — | — | |
| SCHEMBL24938716 | 0.74 | MAPT (0.34) | — | |
| Hydrochloric Acid SCHEMBL28986348 | 0.72 | MAPT (0.33) | — | |
| Thiocyanic Acid SCHEMBL28431376 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL7554432 | 0.70 | — | — | |
| Water SCHEMBL27734046 | 0.70 | — | — | |
| SCHEMBL5673697 | 0.67 | — | — |
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-115678289-A | Anti-shedding sulfur asphalt and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-02-03 | — | — | CN | claimed |
| CN-114477835-B | Anti-scattering agent, anti-scattering flame-retardant asphalt mixture and preparation method thereof | 中国石油化工股份有限公司 | 2023-01-10 | — | — | CN | claimed |