⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18194734 | 0.78 | — | — | |
| SCHEMBL18257887 | 0.75 | — | — | |
| SCHEMBL84050 | 0.73 | — | — | |
| SCHEMBL18194735 | 0.72 | — | — | |
| SCHEMBL12709253 | 0.71 | — | — | |
| SCHEMBL8290749 | 0.71 | — | — | |
| SCHEMBL889879 | 0.70 | — | — | |
| SCHEMBL27648971 | 0.67 | — | — | |
| SCHEMBL191360 | 0.67 | — | — | |
| SCHEMBL22525063 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8277775-B2 | Boron dipyrromethene difluoro (BODIPY) conjugates | THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) | 2012-10-02 | — | — | US | disclosed |
| US-20120058982-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20110082300-A1 | Boron Dipyrromethene Difluoro (Bodipy) Conjugates | RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) | 2011-04-07 | — | — | US | disclosed |