⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5943339 | 0.76 | — | — | |
| SCHEMBL25369 | 0.72 | — | — | |
| SCHEMBL2885289 | 0.69 | — | — | |
| SCHEMBL7040037 | 0.67 | — | — | |
| SCHEMBL9318011 | 0.67 | — | — | |
| SCHEMBL1469618 | 0.67 | — | — | |
| SCHEMBL11098106 | 0.67 | — | — | |
| SCHEMBL1470059 | 0.67 | — | — | |
| SCHEMBL83936 | 0.67 | — | — | |
| SCHEMBL7737 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7112671-B2 | Non-symmetric tripyrranes in the synthesis of novel macrocycles | PHARMACYCLICS, INC. (US) | 2006-09-26 | — | — | US | disclosed |
| US-20030232800-A1 | Non-symmetric tripyrranes in the synthesis of novel macrocycles | UNIVERSITY OF TEXAS | 2003-12-18 | — | — | US | disclosed |
| WO-2002017925-A1 | NON-SYMMETRIC TRIPYRRANNES IN THE SYNTHESIS OF NOVEL MACROCYCLES | PHARMACYCLICS, INC. (US) | 2002-03-07 | — | — | WO | disclosed |
| EP-0001284-B1 | UV-LIGHT STABILIZED COMPOSITIONS CONTAINING SUBSTITUTED 2-KETO-1,4-DIAZACYCLOALKANES | The B.F. GOODRICH Company (US) | 1984-05-23 | — | — | EP | disclosed |