⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8437666 | 1.00 | — | — | |
| SCHEMBL9077781 | 0.91 | — | — | |
| SCHEMBL9077784 | 0.91 | — | — | |
| SCHEMBL10802224 | 0.90 | CES2 (0.32) | — | |
| SCHEMBL10802230 | 0.90 | CES2 (0.32) | — | |
| SCHEMBL9671817 | 0.88 | MAPT (0.39) | — | |
| SCHEMBL8741045 | 0.83 | — | — | |
| SCHEMBL8741044 | 0.83 | — | — | |
| SCHEMBL8437669 | 0.82 | GPR17 (0.30) | — | |
| SCHEMBL10575641 | 0.81 | POLB (0.39) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5969141-A | Intermediates for 7-amino-1-cyclopropyl-6,8-dihalogeno-1,4-dihydro-4-oxo-3-quinolinecarbox ylic acid antibacterial agents | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-19 | — | — | US | disclosed |
| US-5777181-A | 2, 4, 5-trihalogeno- and 2, 3, 4, 5-tetrahalogenobenzene derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1998-07-07 | — | — | US | disclosed |
| US-5571812-A | TREATMENT OF INFECTIONS OF GRAMNEGATIVE AND GRAMPOSITIVE BACTERIA | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-05 | — | — | US | disclosed |
| US-5565614-A | FLUORINATION | BAYER AKTIENGESELLSCHAFT (DE) | 1996-10-15 | — | — | US | disclosed |
| US-5530158-A | CHEMICAL INTERMEDIATE FOR ANTIBACTERIALS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-06-25 | — | — | US | disclosed |
| US-5468861-A | Bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 1995-11-21 | — | — | US | disclosed |
| US-5362909-A | Two stage fluorination | BAYER AKTIENGESELLSCHAFT (DE) | 1994-11-08 | — | — | US | disclosed |
| US-5200548-A | Intermediates for bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 1993-04-06 | — | — | US | disclosed |
| US-5072038-A | Chemical intermediates for bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-10 | — | — | US | disclosed |
| US-4703047-A | 1-Cyclopropyl-1,4-dihydro-4-oxo-7-(4-(2-oxo-1,3-dioxol-4-yl-methyl)-1-piperazinyl)-3-quinolinecarboxylic acid antibacterial agents | BAYER AKTIENGESELLSCHAFT (DE) | 1987-10-27 | — | — | US | disclosed |