⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12464663 | 0.78 | — | — | |
| SCHEMBL6967196 | 0.75 | — | — | |
| SCHEMBL6386489 | 0.74 | GAA (0.36) | — | |
| SCHEMBL5201388 | 0.74 | GAA (0.36) | — | |
| SCHEMBL20746623 | 0.70 | — | — | |
| SCHEMBL600914 | 0.69 | — | — | |
| SCHEMBL1231721 | 0.69 | — | — | |
| SCHEMBL5199655 | 0.69 | CCNT1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL9353278 | 0.67 | BRD4 (0.40) | — | |
| SCHEMBL15202553 | 0.66 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240018157-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. | 2024-01-18 | — | — | US | disclosed |
| EP-1817379-A2 | PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS | The Procter and Gamble Company (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006060564-A2 | PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2006-06-08 | — | — | WO | disclosed |
| EP-1663245-A1 | CEPHEM COMPOUNDS | Astellas Pharma Inc. (JP) | 2006-06-07 | — | — | EP | disclosed |
| EP-1556389-A1 | CEPHEM COMPOUNDS | Astellas Pharma Inc. (JP) | 2005-07-27 | — | — | EP | disclosed |
| WO-2005027909-A1 | CEPHEM COMPOUNDS | ASTELLAS PHARMA INC. (JP) | 2005-03-31 | — | — | WO | disclosed |
| WO-2004039814-A1 | CEPHEM COMPOUNDS | ASTELLAS PHARMA INC. (JP) | 2004-05-13 | — | — | WO | disclosed |
| EP-0618903-A1 | OXIDATION HAIR DYE CONTAINING 4,5-DIAMINOPYRAZOLE DERIVATIVES AND NOVEL 4,5-DIAMINOPYRAZOLE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION | Wella Aktiengesellschaft (DE) | 1994-10-12 | — | — | EP | disclosed |
| WO-1994008970-A1 | OXIDATION HAIR DYE CONTAINING 4,5-DIAMINOPYRAZOLE DERIVATIVES AND NOVEL 4,5-DIAMINOPYRAZOLE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION | WELLA AKTIENGESELLSCHAFT (DE) | 1994-04-28 | — | — | WO | disclosed |