⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48663 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7027508 | 0.95 | FDPS (0.46) | — | |
| Hydrochloric Acid SCHEMBL28322581 | 0.95 | FDPS (0.46) | — | |
| Fluoride SCHEMBL28144930 | 0.95 | — | — | |
| Water SCHEMBL15333942 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL720759 | 0.95 | — | — | |
| Bromide SCHEMBL273017 | 0.95 | — | — | |
| Iodide SCHEMBL720868 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL15408421 | 0.93 | FDPS (0.44) | — | |
| Fluoride SCHEMBL28209237 | 0.93 | FDPS (0.44) | — |
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-109206340-A | A kind of preparation method of p-HBN | 中国石化扬子石油化工有限公司 | 2019-01-15 | — | — | CN | claimed |
| CN-109206341-A | A kind of preparation method of sebacic dinitrile | 中国石化扬子石油化工有限公司 | 2019-01-15 | — | — | CN | claimed |