⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8064421 | 1.00 | — | — | |
| SCHEMBL779960 | 0.78 | — | — | |
| SCHEMBL779959 | 0.78 | — | — | |
| SCHEMBL10021973 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL28417908 | 0.75 | ALDH1A1 (0.40) | — | |
| Sorbic Acid SCHEMBL4918704 | 0.73 | — | — | |
| Sorbic Acid SCHEMBL5402804 | 0.73 | — | — | |
| Sorbic Acid SCHEMBL653311 | 0.73 | TSHR (0.47) | — | |
| Sorbic Acid SCHEMBL1648 | 0.73 | — | — | |
| Sorbic Acid SCHEMBL13035960 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0793497-B1 | NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF | SLOAN KETTERING INST CANCER (US) | 2003-02-12 | — | — | EP | disclosed |
| US-6100339-A | COMPRISING A POLYMER WHICH CONTAINS A CYCLIC MONOMER UNIT AND WHICH CONTAINS A REACTIVE GROUP, AND A RESIN COMPOSITION COMPRISING THE SAME; DURABILITY, CHEMICAL RESISTANCE | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 2000-08-08 | — | — | US | disclosed |
| US-6020341-A | Enediyne quinone imines and methods of preparation and use thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2000-02-01 | — | — | US | disclosed |
| EP-0793497-A4 | NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF | SLOAN KETTERING INST CANCER (US) | 1998-01-28 | — | — | EP | disclosed |
| EP-0793497-A1 | NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF | Sloan-Kettering Institute For Cancer Research (US) | 1997-09-10 | — | — | EP | disclosed |
| US-5622958-A | ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1997-04-22 | — | — | US | disclosed |
| WO-1996016655-A1 | NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1996-06-06 | — | — | WO | disclosed |
| EP-0681582-A1 | PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-15 | — | — | EP | disclosed |
| WO-1994017069-A1 | PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | THE UPJOHN COMPANY (US) | 1994-08-04 | — | — | WO | disclosed |
| US-4348402-A | ENZYME INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 1982-09-07 | — | — | US | disclosed |