⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL362 | 0.86 | — | — | |
| Methylamine SCHEMBL27615161 | 0.83 | — | — | |
| SCHEMBL27985334 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL9388248 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL28250028 | 0.82 | — | — | |
| Potassium SCHEMBL10628380 | 0.82 | — | — | |
| Methane SCHEMBL28231703 | 0.82 | — | — | |
| SCHEMBL10790464 | 0.82 | — | — | |
| Methylsulfanylmethane SCHEMBL27678017 | 0.80 | — | — | |
| Butadiene SCHEMBL11669047 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101027306-B | Method of preparing poly(ADP-ribose) polymerases inhibitors | PFIZER | 2010-10-27 | — | — | CN | disclosed |
| EP-1794163-B1 | METHOD OF PREPARING POLY(ADP-RIBOSE) POLYMERASES INHIBITORS | PFIZER (US) | 2009-12-23 | — | — | EP | disclosed |
| US-7323562-B2 | Method of preparing poly(ADP-ribose) polymerases inhibitors | AGOURON PHARMACEUTICALS, INC. (US) | 2008-01-29 | — | — | US | disclosed |
| CN-101027306-A | Method of preparing poly(ADP-ribose) polymerases inhibitors | PFIZER (US) | 2007-08-29 | — | — | CN | disclosed |
| EP-1794163-A1 | METHOD OF PREPARING POLY(ADP-RIBOSE) POLYMERASES INHIBITORS | Pfizer, Inc. (US) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006033003-A1 | METHOD OF PREPARING POLY(ADP-RIBOSE) POLYMERASES INHIBITORS | PFIZER, INC. (US) | 2006-03-30 | — | — | WO | disclosed |
| US-20060063926-A1 | Method of preparing poly(ADP-ribose) polymerases inhibitors | AGOURON PHARMACEUTICALS, INC. | 2006-03-23 | — | — | US | disclosed |