⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL612516 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL5395689 | 0.82 | — | — | |
| SCHEMBL612515 | 0.82 | — | — | |
| SCHEMBL29290019 | 0.82 | — | — | |
| Fluoride SCHEMBL22976925 | 0.82 | — | — | |
| SCHEMBL20996300 | 0.82 | — | — | |
| SCHEMBL15437948 | 0.82 | — | — | |
| SCHEMBL17241344 | 0.82 | — | — | |
| Fluoride SCHEMBL93728 | 0.82 | — | — | |
| Fluoride SCHEMBL4579505 | 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-107604135-B | Carbon steel material before heat treatment having excellent scale removal property, carbon steel material after heat treatment, and method for producing same | 日本帕卡濑精株式会社 | 2020-11-10 | — | — | CN | disclosed |
| CN-105797701-A | Catalyst for catalyzing soot combustion of diesel vehicle and preparation method and application thereof | 济南大学 | 2016-07-27 | — | — | CN | disclosed |