⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11541036 | 0.98 | CYP1A2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL8656024 | 0.98 | CYP1A2 (0.38) | — | |
| SCHEMBL17196028 | 0.87 | CYP1A2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL10838609 | 0.85 | CYP1A2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL10849228 | 0.84 | CYP1A2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL10852817 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL2561990 | 0.77 | — | — | |
| SCHEMBL1142098 | 0.77 | — | — | |
| SCHEMBL10995491 | 0.76 | CYP1A2 (0.57) | — | |
| SCHEMBL5154397 | 0.74 | HTT (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4039536-A | 7-(α-SUBSTITUTED GLYCINAMIDO)-3-SUBSTITUTED METHYL-3-CEPHEM-4-CARBOXYLIC ACIDS AND THEIR DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JA) | 1977-08-02 | — | — | US | claimed |
| US-20170174704-A1 | QUINOXALINE COMPOUNDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-06-22 | — | — | US | disclosed |
| US-20170174704-A1 | QUINOXALINE COMPOUNDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-06-22 | — | — | US | disclosed |
| US-7332265-B2 | Silver halide color photographic light-sensitive material, and image-forming method | FUJIFILM CORPORATION (JP) | 2008-02-19 | — | — | US | disclosed |
| CN-1021910-C | LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-08-25 | — | — | CN | disclosed |
| US-5006444-A | Silver halide photographic material | FUJI PHOTO FILM CO., LTD. (JP) | 1991-04-09 | — | — | US | disclosed |
| US-4971963-A | BACTERICIDE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-11-20 | — | — | US | disclosed |
| US-4914206-A | ANTIBIOTICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-04-03 | — | — | US | disclosed |
| EP-0333082-A2 | Cephem compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-09-20 | — | — | EP | disclosed |
| CN-86108176-A | Lankacidin derivatives and process for producing the same | — | 1987-10-21 | — | — | CN | disclosed |
| EP-0226896-A2 | Lankacidin derivatives and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1987-07-01 | — | — | EP | disclosed |
| US-4205166-A | 7-Substituted-3-aminoalkyl-, acylaminoalkyl-, or hydroxyalkyl-substituted heterocyclic thiomethyl-3-cephem-4-carboxylic acid derivatives and preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1980-05-27 | — | — | US | disclosed |