⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3670488 | 0.87 | — | — | |
| SCHEMBL3680720 | 0.84 | SIGMAR1 (0.42) | — | |
| SCHEMBL453071 | 0.84 | SIGMAR1 (0.42) | — | |
| SCHEMBL12687881 | 0.80 | PIK3CD (0.31) | — | |
| SCHEMBL7514984 | 0.79 | ANPEP (0.46) | — | |
| SCHEMBL7951463 | 0.73 | — | — | |
| SCHEMBL6204634 | 0.73 | — | — | |
| SCHEMBL14478291 | 0.73 | — | — | |
| SCHEMBL4675938 | 0.73 | — | — | |
| SCHEMBL8528473 | 0.73 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009006492-A2 | STEREOSELECTIVE RESOLUTION OF RACEMIC AMINES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-08 | — | — | WO | disclosed |
| EP-0747348-A4 | AMINOALKYLCYCLOPROPANE DERIVATIVE | ASAHI CHEMICAL IND (JP) | 1999-07-07 | — | — | EP | disclosed |
| WO-1995022521-A1 | AMINOALKYLCYCLOPROPANE DERIVATIVE | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1995-08-24 | — | — | WO | disclosed |