⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL284955 | 1.00 | — | — | |
| SCHEMBL20541415 | 1.00 | — | — | |
| SCHEMBL29016257 | 1.00 | — | — | |
| SCHEMBL5437593 | 0.82 | — | — | |
| SCHEMBL5444977 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL27328202 | 0.82 | — | — | |
| SCHEMBL28533669 | 0.82 | — | — | |
| SCHEMBL31359158 | 0.71 | — | — | |
| SCHEMBL906520 | 0.71 | — | — | |
| SCHEMBL1326034 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200055037-A1 | TRANSITION METAL ISONITRILE CATALYSTS | HADEED GERALD S (TT) | 2020-02-20 | — | — | US | disclosed |
| WO-2018193401-A1 | TRANSITION METAL ISONITRILE CATALYSTS | HADEED GERALD S (TT) | 2018-10-25 | — | — | WO | disclosed |
| US-7777083-B2 | Iridium catalysts for catalytic hydrogenation | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2010-08-17 | — | — | US | disclosed |
| US-20080300430-A1 | IRIDIUM CATALYSTS FOR CATALYTIC HYDROGENATION | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2008-12-04 | — | — | US | disclosed |
| CN-1245773-A | Process for producing chlorine | SUMITOMO CHEMICAL CO (JP) | 2000-03-01 | — | — | CN | disclosed |