⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8114903 | 0.82 | — | — | |
| SCHEMBL2708549 | 0.80 | HRH4 (0.67) | — | |
| SCHEMBL12685100 | 0.79 | — | — | |
| 2-Methylhistamine SCHEMBL889086 | 0.77 | — | — | |
| SCHEMBL889061 | 0.77 | — | — | |
| SCHEMBL889370 | 0.76 | — | — | |
| SCHEMBL889085 | 0.74 | — | — | |
| SCHEMBL906338 | 0.74 | — | — | |
| SCHEMBL889023 | 0.74 | — | — | |
| SCHEMBL27907439 | 0.72 | HRH4 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998033786-A9 | ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS | — | 1998-12-30 | — | — | WO | claimed |
| WO-1998033786-A1 | ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-08-06 | — | — | WO | claimed |
| EP-2276464-A2 | COMBINATIONS OF ANTIVIRAL AGENTS AND OTHER COMPOUNDS | Mallinckrodt Inc. (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009129094-A2 | COMPOSITIONS CONTAINING ANTIVIRAL COMPOUNDS AND METHODS OF USING THE SAME | MALLINCKRODT INC. (US) | 2009-10-22 | — | — | WO | disclosed |
| WO-1998033786-A9 | ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS | — | 1998-12-30 | — | — | WO | disclosed |
| WO-1998033786-A1 | ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-08-06 | — | — | WO | disclosed |
| EP-0788364-A4 | TREATMENT OF UROGENITAL CANCER WITH BORON NEUTRON CAPTURE THERAPY | UNIV EMORY (US) | 1998-05-06 | — | — | EP | disclosed |
| EP-0788364-A1 | TREATMENT OF UROGENITAL CANCER WITH BORON NEUTRON CAPTURE THERAPY | EMORY UNIVERSITY (US) | 1997-08-13 | — | — | EP | disclosed |
| EP-0731808-A4 | NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS | UNIV EMORY (US) | 1997-04-02 | — | — | EP | disclosed |
| EP-0731808-A1 | NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS | EMORY UNIVERSITY (US) | 1996-09-18 | — | — | EP | disclosed |
| WO-1996014073-A1 | TREATMENT OF UROGENITAL CANCER WITH BORON NEUTRON CAPTURE THERAPY | EMORY UNIVERSITY (US) | 1996-05-17 | — | — | WO | disclosed |
| WO-1995015333-A1 | NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS | EMORY UNIVERSITY (US) | 1995-06-08 | — | — | WO | disclosed |