⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL437089 | 0.88 | TSHR (0.33) | — | |
| SCHEMBL14157251 | 0.80 | TSHR (0.40) | — | |
| SCHEMBL1131 | 0.80 | TSHR (0.40) | — | |
| SCHEMBL25206988 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL8911782 | 0.77 | TSHR (0.38) | — | |
| Hexane SCHEMBL4123692 | 0.77 | TSHR (0.44) | — | |
| SCHEMBL10851813 | 0.77 | TSHR (0.38) | — | |
| Bromide SCHEMBL28239528 | 0.77 | TSHR (0.38) | — | |
| Phosphine SCHEMBL27559693 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL28961072 | 0.75 | TSHR (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1278746-A2 | DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE | Abbott Laboratories (US) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001083480-A2 | DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2001-11-08 | — | — | WO | disclosed |