⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2267527 | 0.98 | CHRM2 (0.30) | — | |
| SCHEMBL16701138 | 0.90 | FAAH (0.35) | — | |
| SCHEMBL16700592 | 0.87 | FAAH (0.40) | — | |
| SCHEMBL2265540 | 0.84 | CHRM2 (0.31) | — | |
| SCHEMBL15820187 | 0.77 | LMNA (0.35) | — | |
| SCHEMBL10551152 | 0.76 | LMNA (0.38) | — | |
| SCHEMBL623417 | 0.73 | LMNA (0.36) | — | |
| SCHEMBL14808548 | 0.72 | — | — | |
| SCHEMBL6882434 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL2072542 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188084-B2 | Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) | 2012-05-29 | — | — | US | disclosed |
| US-20090176765-A1 | Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) | MSD ITALIA S.R.L. (IT) | 2009-07-09 | — | — | US | disclosed |