⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12544684 | 1.00 | — | — | |
| SCHEMBL24149231 | 0.81 | TSHR (0.47) | — | |
| SCHEMBL22281529 | 0.79 | TSHR (0.55) | — | |
| SCHEMBL23047643 | 0.79 | TSHR (0.45) | — | |
| SCHEMBL2304908 | 0.79 | — | — | |
| SCHEMBL10831032 | 0.77 | MAPT (0.41) | — | |
| SCHEMBL8353701 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL10314121 | 0.77 | ALOX15 (0.38) | — | |
| SCHEMBL14223575 | 0.77 | ALOX15 (0.38) | — | |
| SCHEMBL346729 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6723745-B2 | PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL | SANKYO COMPANY, LIMITED (JP) | 2004-04-20 | — | — | US | disclosed |