⚠ 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 | |
|---|---|---|---|---|
| (+/-)-Tulipaline B SCHEMBL4922801 | 1.00 | — | — | |
| (+/-)-Tulipaline B SCHEMBL1073177 | 1.00 | — | — | |
| SCHEMBL3944987 | 0.70 | — | — | |
| SCHEMBL3947301 | 0.70 | — | — | |
| SCHEMBL1801718 | 0.70 | — | — | |
| SCHEMBL2376391 | 0.70 | — | — | |
| SCHEMBL8398217 | 0.70 | KDM1A (0.35) | — | |
| SCHEMBL16431282 | 0.70 | — | — | |
| SCHEMBL3196631 | 0.70 | ATM (0.39) | — | |
| SCHEMBL4162224 | 0.70 | — | — |
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-20080262082-A1 | COMPOSITION CONTAINING S-(-)-TULIPALIN B OR ACETYLATED-S-(-)-TULIPALIN B | BIO SPECTRUM, INC. (KR) | 2008-10-23 | — | — | US | disclosed |