⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4755383 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL4756992 | 0.70 | HSD11B1 (0.42) | — | |
| SCHEMBL4085736 | 0.70 | HSD11B1 (0.42) | — | |
| Tert-Butylamine SCHEMBL4753887 | 0.70 | HSD11B1 (0.37) | — | |
| SCHEMBL6377829 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL6377834 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL14559651 | 0.66 | EPHX2 (0.38) | — | |
| SCHEMBL4755396 | 0.65 | — | — | |
| SCHEMBL4755398 | 0.65 | — | — | |
| SCHEMBL14559630 | 0.65 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008155619-A2 | PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS | PFIZER INC. (US) | 2008-12-24 | — | — | WO | disclosed |