⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6468067 | 0.69 | TDP1 (0.33) | — | |
| SCHEMBL6463162 | 0.69 | TDP1 (0.33) | — | |
| SCHEMBL7015289 | 0.65 | — | — | |
| SCHEMBL4016277 | 0.64 | CES1 (0.31) | — | |
| SCHEMBL182009 | 0.61 | — | — | |
| SCHEMBL3916804 | 0.61 | P2RX7 (0.34) | — | |
| SCHEMBL18550681 | 0.61 | GSK3B (0.33) | — | |
| SCHEMBL7516468 | 0.60 | — | — | |
| SCHEMBL3622646 | 0.60 | — | — | |
| SCHEMBL262994 | 0.60 | PYGM (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050004044-A1 | Use of orsaponin [3beta, 16beta, 17 alpha-trihydroxycholost-5-en-22-one 16-0-(2-0-4-methoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-(2-0-acetyl-alpha-L-arabinopyranoside)] or OSW-1 and its derivatives for cancer therapeutics | BOARD OF REGENTS | 2005-01-06 | — | — | US | disclosed |
| US-6753414-B2 | PREPARING NATURALLY OCCURRING SAPONINS SUCH AS OSW-L | UNIVERSITY OF IOWA RESEARCH FOUNDATION, INC. | 2004-06-22 | — | — | US | disclosed |
| US-20030069214-A1 | Process for preparing saponin compounds | UNIVERSITY OF IOWA RESEARCH FOUNDATION | 2003-04-10 | — | — | US | disclosed |