⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3046330 | 0.93 | — | — | |
| SCHEMBL3054791 | 0.88 | NTSR1 (0.40) | — | |
| SCHEMBL14262421 | 0.85 | GRIN2B (0.46) | — | |
| SCHEMBL9736075 | 0.83 | — | — | |
| SCHEMBL9734738 | 0.83 | — | — | |
| SCHEMBL3046328 | 0.83 | BDKRB2 (0.41) | — | |
| SCHEMBL3051772 | 0.83 | NTSR1 (0.35) | — | |
| SCHEMBL16317411 | 0.83 | NTSR1 (0.35) | — | |
| SCHEMBL9735134 | 0.81 | ACE2 (0.38) | — | |
| SCHEMBL9735131 | 0.81 | ACE2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7678765-B2 | Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them | PHARMA MAR, S.A. (ES) | 2010-03-16 | — | — | US | disclosed |
| US-7678765-B2 | Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them | PHARMA MAR, S.A. (ES) | 2010-03-16 | — | — | US | disclosed |
| US-7678765-B2 | Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them | PHARMA MAR, S.A. (ES) | 2010-03-16 | — | — | US | disclosed |
| EP-1294747-B1 | SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM | PHARMA MAR SA (ES) | 2008-04-30 | — | — | EP | disclosed |
| EP-1294747-B1 | SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM | PHARMA MAR SA (ES) | 2008-04-30 | — | — | EP | disclosed |
| US-7348310-B2 | Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them | PHARMA MAR, S.A. (ES) | 2008-03-25 | — | — | US | disclosed |
| US-7348310-B2 | Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them | PHARMA MAR, S.A. (ES) | 2008-03-25 | — | — | US | disclosed |
| US-7348310-B2 | Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them | PHARMA MAR, S.A. (ES) | 2008-03-25 | — | — | US | disclosed |
| US-20080009435-A1 | Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them | PHARMA MAR, S.A., A SPAIN CORPORATION | 2008-01-10 | — | — | US | disclosed |
| US-20080009435-A1 | Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them | PHARMA MAR, S.A., A SPAIN CORPORATION | 2008-01-10 | — | — | US | disclosed |
| US-20080009435-A1 | Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them | PHARMA MAR, S.A., A SPAIN CORPORATION | 2008-01-10 | — | — | US | disclosed |
| US-20040097413-A1 | Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them | PHARMA MAR, S.A. (ES) | 2004-05-20 | — | — | US | disclosed |