⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL262756 | 0.79 | NT5E (0.30) | — | |
| SCHEMBL207056 | 0.77 | ACHE (0.30) | — | |
| SCHEMBL11054093 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL7197667 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL18705868 | 0.74 | — | — | |
| SCHEMBL9130718 | 0.74 | — | — | |
| SCHEMBL159601 | 0.69 | — | — | |
| SCHEMBL3465 | 0.67 | — | — | |
| SCHEMBL8924729 | 0.66 | HDAC6 (0.34) | — | |
| SCHEMBL27458087 | 0.65 | — | — |
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-1440390-A | Substituted diamine derivatives as motilin antagonists | ORTHO MCNEIL PHARM INC (US) | 2003-09-03 | — | — | CN | claimed |
| EP-1294695-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-26 | — | — | EP | claimed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | claimed |
| CN-1440390-A | Substituted diamine derivatives as motilin antagonists | ORTHO MCNEIL PHARM INC (US) | 2003-09-03 | — | — | CN | disclosed |
| EP-1294695-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | disclosed |