⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22490822 | 0.75 | — | — | |
| SCHEMBL315209 | 0.74 | — | — | |
| SCHEMBL664450 | 0.72 | — | — | |
| SCHEMBL6509368 | 0.71 | ENPEP (0.31) | — | |
| SCHEMBL5802896 | 0.70 | DNM1 (0.35) | — | |
| SCHEMBL2476973 | 0.70 | — | — | |
| SCHEMBL20995523 | 0.68 | ROCK2 (0.31) | — | |
| SCHEMBL2921191 | 0.68 | — | — | |
| SCHEMBL305600 | 0.68 | OPRM1 (0.42) | — | |
| SCHEMBL5855533 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120029143-A1 | SILANE COATING MATERIAL AND A PROCESS TO PRODUCE SILANE COATING | NANO-X GMBH (DE) | 2012-02-02 | — | — | US | claimed |
| CN-109695648-B | Friction material | 博格华纳公司 | 2022-03-04 | — | — | CN | disclosed |
| CN-105934495-B | Proppant | 巴斯夫欧洲公司 | 2020-10-27 | — | — | CN | disclosed |