⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24975288 | 0.82 | KDM4E (0.36) | — | |
| SCHEMBL1687842 | 0.75 | DRD2 (0.33) | — | |
| SCHEMBL13599361 | 0.73 | QDPR (0.37) | — | |
| SCHEMBL13596992 | 0.73 | SIGMAR1 (0.44) | — | |
| SCHEMBL10752307 | 0.68 | QDPR (0.36) | — | |
| SCHEMBL598302 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL338375 | 0.65 | — | — | |
| SCHEMBL27415188 | 0.65 | CHRM1 (0.41) | — | |
| SCHEMBL3436392 | 0.63 | DRD2 (0.43) | — | |
| SCHEMBL13597026 | 0.63 | OPRL1 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120088793-A1 | Bicyclic Compounds and Methods of Making and Using Same | NANOTHERAPEUTICS, INC. | 2012-04-12 | — | — | US | disclosed |
| US-8114894-B2 | Bicyclic compounds and methods of making and using same | NANOTHERAPEUTICS, INC. (US) | 2012-02-14 | — | — | US | disclosed |
| US-20100197723-A1 | BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME | NANOSHIFT, LLC | 2010-08-05 | — | — | US | disclosed |