⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12314978 | 0.77 | — | — | |
| SCHEMBL16182005 | 0.77 | — | — | |
| SCHEMBL5909462 | 0.77 | FAAH (0.64) | — | |
| SCHEMBL3114384 | 0.76 | — | — | |
| SCHEMBL215502 | 0.76 | — | — | |
| SCHEMBL10960666 | 0.76 | FAAH (0.41) | — | |
| SCHEMBL11012909 | 0.74 | — | — | |
| SCHEMBL19176854 | 0.74 | MCL1 (0.53) | — | |
| SCHEMBL19384446 | 0.74 | MAPT (0.45) | — | |
| SCHEMBL2564097 | 0.74 | FAAH (0.48) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1070473-C | Process for the preparation of pentenenitriles | RHONE POULENC FIBRES (FR) | 2001-09-05 | — | — | CN | disclosed |
| CN-1170403-A | Process for the preparation of pentenenitriles | RHONE POULENC FIBRES (FR) | 1998-01-14 | — | — | CN | disclosed |
| EP-0799190-A1 | PROCESS FOR PRODUCING PENTENE-NITRILES | RHONE-POULENC FIBER AND RESIN INTERMEDIATES (FR) | 1997-10-08 | — | — | EP | disclosed |
| EP-0799190-A1 | PROCESS FOR PRODUCING PENTENE-NITRILES | RHONE-POULENC FIBER AND RESIN INTERMEDIATES (FR) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996019439-A1 | PROCESS FOR PRODUCING PENTENE-NITRILES | RHONE-POULENC FIBER AND RESIN INTERMEDIATES (FR) | 1996-06-27 | — | — | WO | disclosed |
| WO-1996019439-A1 | PROCESS FOR PRODUCING PENTENE-NITRILES | RHONE-POULENC FIBER AND RESIN INTERMEDIATES (FR) | 1996-06-27 | — | — | WO | disclosed |