⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL208894 | 0.65 | CA3 (0.31) | — | |
| SCHEMBL207132 | 0.65 | CA3 (0.31) | — | |
| SCHEMBL3653112 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL4037370 | 0.60 | — | — | |
| SCHEMBL209071 | 0.58 | CA1 (0.36) | — | |
| SCHEMBL17552630 | 0.57 | CES2 (0.36) | — | |
| SCHEMBL531337 | 0.55 | CES2 (0.52) | — | |
| SCHEMBL12578957 | 0.55 | CES2 (0.39) | — | |
| SCHEMBL5881043 | 0.55 | ERN1 (0.37) | — | |
| SCHEMBL576399 | 0.55 | CES2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2215067-A1 | AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS | Janssen Pharmaceutica, N.V. (BE) | 2010-08-11 | — | — | EP | claimed |
| WO-2009058653-A1 | AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-05-07 | — | — | WO | claimed |
| EP-2215067-A1 | AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS | Janssen Pharmaceutica, N.V. (BE) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009058653-A1 | AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-05-07 | — | — | WO | disclosed |