⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL332957 | 1.00 | — | — | |
| SCHEMBL2681012 | 1.00 | — | — | |
| Water SCHEMBL30891750 | 0.98 | — | — | |
| SCHEMBL29732 | 0.98 | — | — | |
| Glycerin SCHEMBL17353367 | 0.87 | — | — | |
| SCHEMBL11455191 | 0.72 | TDP1 (0.31) | — | |
| SCHEMBL6645893 | 0.70 | — | — | |
| SCHEMBL11452979 | 0.67 | — | — | |
| SCHEMBL30893667 | 0.63 | LMNA (0.32) | — | |
| SCHEMBL18765996 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9394298-B2 | Pyrroloquinoline quinone tetraalkali salt and crystal thereof, methods for producing these, and composition | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2016-07-19 | — | — | US | disclosed |
| US-9394298-B2 | Pyrroloquinoline quinone tetraalkali salt and crystal thereof, methods for producing these, and composition | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2016-07-19 | — | — | US | disclosed |
| US-20150203488-A1 | PYRROLOQUINOLINE QUINONE TETRAALKALI SALT AND CRYSTAL THEREOF, METHODS FOR PRODUCING THESE, AND COMPOSITION | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2015-07-23 | — | — | US | disclosed |
| US-20150203488-A1 | PYRROLOQUINOLINE QUINONE TETRAALKALI SALT AND CRYSTAL THEREOF, METHODS FOR PRODUCING THESE, AND COMPOSITION | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2015-07-23 | — | — | US | disclosed |