⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3864931 | 1.00 | — | — | |
| SCHEMBL3864936 | 1.00 | — | — | |
| SCHEMBL3863529 | 0.81 | — | — | |
| SCHEMBL3863532 | 0.81 | — | — | |
| SCHEMBL3863533 | 0.81 | — | — | |
| SCHEMBL5604068 | 0.76 | KMT2A (0.31) | — | |
| SCHEMBL5604089 | 0.76 | KMT2A (0.31) | — | |
| SCHEMBL5604077 | 0.76 | KMT2A (0.31) | — | |
| SCHEMBL3873505 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL3873509 | 0.73 | ALDH1A1 (0.33) | — |
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-1845078-B1 | PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR | TAKASAGO PERFUMERY CO LTD (JP) | 2017-06-07 | — | — | EP | disclosed |
| US-7479574-B2 | Method of producing macrocyclic ketone, and intermediate thereof | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-01-20 | — | — | US | disclosed |
| US-20070287870-A1 | Method of Producing Macrocyclic Ketone, and Intermediate Thereof | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2007-12-13 | — | — | US | disclosed |
| EP-1845078-A1 | PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR | Takasago International Corporation (JP) | 2007-10-17 | — | — | EP | disclosed |