⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18194646 | 1.00 | — | — | |
| SCHEMBL16614403 | 1.00 | — | — | |
| SCHEMBL18194673 | 0.95 | — | — | |
| SCHEMBL18194657 | 0.83 | — | — | |
| SCHEMBL1505680 | 0.82 | — | — | |
| SCHEMBL2528783 | 0.82 | — | — | |
| SCHEMBL18194654 | 0.81 | — | — | |
| SCHEMBL18194652 | 0.79 | CA2 (0.32) | — | |
| SCHEMBL19812547 | 0.79 | — | — | |
| SCHEMBL16614422 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017165170-A1 | ELECTRON WITHDRAWING GROUP SUBSTITUTED AND MACROCYCLIC PGJ3 ANALOGS AND METHODS OF TREATMENT THEREOF | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-09-28 | — | — | WO | disclosed |
| US-20160318862-A1 | SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2016-11-03 | — | — | US | disclosed |
| US-20160318862-A1 | SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2016-11-03 | — | — | US | disclosed |
| WO-2015048268-A1 | SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2015-04-02 | — | — | WO | disclosed |