⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7787431 | 1.00 | — | — | |
| SCHEMBL14119693 | 1.00 | — | — | |
| SCHEMBL1157718 | 1.00 | — | — | |
| SCHEMBL8776602 | 0.93 | — | — | |
| SCHEMBL27970435 | 0.91 | — | — | |
| SCHEMBL14897 | 0.91 | — | — | |
| SCHEMBL14898 | 0.91 | — | — | |
| SCHEMBL26739247 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL9811924 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL9811927 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0847383-B1 | MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES | DU PONT (US) | 2001-11-07 | — | — | EP | claimed |
| US-4039527-A | POLYMERIZATION CATALYSTS | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JA) | 1977-08-02 | — | — | US | disclosed |