⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1288195 | 0.78 | — | — | |
| SCHEMBL14667545 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL441470 | 0.76 | — | — | |
| SCHEMBL678848 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL25278306 | 0.73 | — | — | |
| SCHEMBL17825605 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2672014 | 0.73 | — | — | |
| SCHEMBL31438419 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL14667544 | 0.72 | — | — | |
| SCHEMBL12269636 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100162416-A1 | Multi-stage stem cell carcinogenesis | STEMLIFELINE, INC. (US) | 2010-06-24 | — | — | US | disclosed |
| WO-2010037134-A2 | MULTI-STAGE STEM CELL CARCINOGENESIS | STEMLIFELINE, INC. (US) | 2010-04-01 | — | — | WO | disclosed |
| US-20070015696-A1 | 621 human secreted proteins | HUMAN GENOME SCIENCES, INC. | 2007-01-18 | — | — | US | disclosed |
| US-4999279-A | Polyamide, Unsaturated Monomer, Metal (Meth)acrylate, N-Nitrosoamine Compound; Printed Plates | TOYO BOSEKI KABUSHIKI KAISHA (JP) | 1991-03-12 | — | — | US | disclosed |
| EP-0324485-A2 | Photosensitive resin composition | Toyo Boseki Kabushiki Kaisha (JP) | 1989-07-19 | — | — | EP | disclosed |