⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25497697 | 1.00 | — | — | |
| SCHEMBL9749180 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30586737 | 0.98 | ALDH1A1 (0.65) | — | |
| SCHEMBL9810863 | 0.98 | ALDH1A1 (0.65) | — | |
| SCHEMBL6232481 | 0.98 | ALDH1A1 (0.65) | — | |
| SCHEMBL9810860 | 0.98 | ALDH1A1 (0.65) | — | |
| SCHEMBL9810859 | 0.98 | ALDH1A1 (0.65) | — | |
| SCHEMBL3679693 | 0.95 | ALDH1A1 (0.62) | — | |
| SCHEMBL15948181 | 0.93 | ALDH1A1 (0.58) | — | |
| SCHEMBL18691951 | 0.91 | ALDH1A1 (0.56) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240083926-A1 | PHOSPHORUS COMPOUNDS AND METHODS THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2024-03-14 | — | — | US | disclosed |
| WO-2022132048-A1 | PHOSPHORUS COMPOUNDS AND METHODS THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2022-06-23 | — | — | WO | disclosed |
| US-5091383-A | SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS | PFIZER INC. (US) | 1992-02-25 | — | — | US | disclosed |
| EP-0215650-B1 | SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS | PFIZER INC. (US) | 1992-01-29 | — | — | EP | disclosed |
| US-4861779-A | Anti-bacterial substituted bridged-diazabicycloalkyl quinolone carboxylic acids | PFIZER INC. (US) | 1989-08-29 | — | — | US | disclosed |
| US-4775668-A | Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof | PFIZER INC. (US) | 1988-10-04 | — | — | US | disclosed |
| EP-0215650-A2 | Substituted bridged-diazabicycloalkyl quinolone carboxylic acids | PFIZER INC. (US) | 1987-03-25 | — | — | EP | disclosed |
| US-4034047-A | CONDENSED POLYACRYLONITRILE TRANSITION METAL COMPLEX CATALYST | SUNTECH, INC. (US) | 1977-07-05 | — | — | US | disclosed |