⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29435528 | 0.97 | — | — | |
| SCHEMBL17639 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8812851 | 0.95 | — | — | |
| SCHEMBL3181216 | 0.95 | — | — | |
| Bromide SCHEMBL29506576 | 0.93 | NOS2 (0.91) | — | |
| SCHEMBL6859312 | 0.89 | NOS2 (0.83) | — | |
| SCHEMBL1181839 | 0.89 | NOS2 (0.83) | — | |
| Alcohol SCHEMBL28917587 | 0.87 | NOS2 (0.79) | — | |
| Ammonia Solution, Strong SCHEMBL3174065 | 0.87 | NOS2 (0.79) | — | |
| Ammonia Solution, Strong SCHEMBL3170954 | 0.83 | NOS2 (0.73) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103012500-B | A kind of pyridine nickel rhodium catalyst and its preparation method and application | Shanghai Pu Jing new chemical materials Co., Ltd (CN) | 2016-01-20 | — | — | CN | claimed |
| CN-103012500-A | Pyridine nickel rhodium catalyst as well as preparation method and application thereof | SHANGHAI KAIFU FINE CHEMICAL TECHNOLOGY CO LTD | 2013-04-03 | — | — | CN | claimed |
| CN-101607934-B | 2-ammonia methyl-pyridine nickel complex, preparation method and application thereof | UNIV SUN YAT SEN | 2011-03-09 | — | — | CN | claimed |
| CN-101607934-A | 2-ammonia methyl-pyridine nickel composition and its production and application | UNIV SUN YAT SEN (CN) | 2009-12-23 | — | — | CN | claimed |
| CN-103012500-B | A kind of pyridine nickel rhodium catalyst and its preparation method and application | Shanghai Pu Jing new chemical materials Co., Ltd (CN) | 2016-01-20 | — | — | CN | disclosed |
| CN-103012500-A | Pyridine nickel rhodium catalyst as well as preparation method and application thereof | SHANGHAI KAIFU FINE CHEMICAL TECHNOLOGY CO LTD | 2013-04-03 | — | — | CN | disclosed |
| CN-101607934-B | 2-ammonia methyl-pyridine nickel complex, preparation method and application thereof | UNIV SUN YAT SEN | 2011-03-09 | — | — | CN | disclosed |
| CN-101607934-B | 2-ammonia methyl-pyridine nickel complex, preparation method and application thereof | UNIV SUN YAT SEN | 2011-03-09 | — | — | CN | disclosed |
| CN-101607934-B | 2-ammonia methyl-pyridine nickel complex, preparation method and application thereof | UNIV SUN YAT SEN | 2011-03-09 | — | — | CN | disclosed |
| CN-101607934-A | 2-ammonia methyl-pyridine nickel composition and its production and application | UNIV SUN YAT SEN (CN) | 2009-12-23 | — | — | CN | disclosed |
| CN-101607934-A | 2-ammonia methyl-pyridine nickel composition and its production and application | UNIV SUN YAT SEN (CN) | 2009-12-23 | — | — | CN | disclosed |
| CN-101607934-A | 2-ammonia methyl-pyridine nickel composition and its production and application | UNIV SUN YAT SEN (CN) | 2009-12-23 | — | — | CN | disclosed |