⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4893426 | 0.71 | — | — | |
| SCHEMBL8835404 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL10641134 | 0.67 | — | — | |
| SCHEMBL10604883 | 0.67 | — | — | |
| SCHEMBL9492351 | 0.65 | TSHR (0.50) | — | |
| Bicarbonate SCHEMBL29279762 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL9644498 | 0.64 | ALDH1A1 (0.33) | — | |
| Bicarbonate SCHEMBL9790007 | 0.62 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL8577664 | 0.62 | — | — | |
| SCHEMBL3252615 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0334590-A2 | 3-(Substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor | ELI LILLY AND COMPANY (US) | 1989-09-27 | — | — | EP | claimed |
| US-20120196989-A1 | SYNTHESIS OF HOMOPOLYMERS AND BLOCK COPOLYMERS | INTEZYNE TECHNOLOGIES, INCORPORATED (US) | 2012-08-02 | — | — | US | disclosed |
| US-20070259134-A1 | Cellulose Compound Film, Optical Compensation Sheet, Polarizing Plate, and Liquid Crystal Display Device | FUJIFILM CORPORATION (JP) | 2007-11-08 | — | — | US | disclosed |