⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3081684 | 1.00 | — | — | |
| SCHEMBL2476774 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL301557 | 0.93 | LTA4H (0.50) | — | |
| Hydrochloric Acid SCHEMBL1982434 | 0.93 | — | — | |
| Bromide SCHEMBL727799 | 0.93 | LTA4H (0.50) | — | |
| Hydrochloric Acid SCHEMBL3355123 | 0.93 | LTA4H (0.50) | — | |
| Hydrochloric Acid SCHEMBL18340209 | 0.81 | CA4 (0.48) | — | |
| SCHEMBL27503700 | 0.73 | MAOA (0.44) | — | |
| Hydrochloric Acid SCHEMBL4062895 | 0.72 | MAOA (0.43) | — | |
| SCHEMBL7925642 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2098530-B1 | Preparation method of organic-transition metal hydride complexes and their use as hydrogen storage materials | HANWHA CHEMICAL CORP (KR) | 2015-05-06 | — | — | EP | disclosed |
| US-7790911-B2 | Advanced preparation method of organic-transition metal hydride complexes as hydrogen storage materials | HANWHA CHEMICAL CORPORATION (KR) | 2010-09-07 | — | — | US | disclosed |
| US-20090227808-A1 | Advanced preparation method of organic-transition metal hydride complexes as hydrogen storage materials | HANWHA CHEMICAL CORPORATION (KP) | 2009-09-10 | — | — | US | disclosed |
| EP-2098530-A1 | Preparation method of organic-transition metal hydride complexes and their use as hydrogen storage materials | HANWHA CHEMICAL CORPORATION (KR) | 2009-09-09 | — | — | EP | disclosed |