⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6705335 | 0.72 | MCL1 (0.49) | — | |
| SCHEMBL6230749 | 0.69 | PTGS1 (0.30) | — | |
| SCHEMBL2404054 | 0.60 | — | — | |
| SCHEMBL1275030 | 0.60 | — | — | |
| SCHEMBL4780758 | 0.60 | PTGS1 (0.36) | — | |
| Acrylonitrile SCHEMBL3176746 | 0.58 | ALDH1A1 (0.31) | — | |
| SCHEMBL2375313 | 0.58 | — | — | |
| SCHEMBL318622 | 0.58 | — | — | |
| SCHEMBL1005739 | 0.57 | — | — | |
| SCHEMBL1005740 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20020079030-A1 | Low energy initiated explosive | CHAN MAY L (US) | 2002-06-27 | — | — | US | claimed |
| EP-0723859-B1 | Multilayered film and collection pouches formed therefrom | HOLLISTER INC (US) | 1999-08-25 | — | — | EP | disclosed |
| US-5674578-A | TOILET DISPOSABLE OSTOMY POUCH; BLEND OF POLYETHYLENE OXIDE AND PLASTICIZED POLYVINYL CHLORIDE BONDED TO BARRIER LAYER COMPRISING POLYVINYLIDENE CHLORIDE | HOLLISTER INCORPORATED (US) | 1997-10-07 | — | — | US | disclosed |
| EP-0723859-A2 | Multilayered film and collection pouches formed therefrom | HOLLISTER INCORPORATED (US) | 1996-07-31 | — | — | EP | disclosed |