⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8689668 | 0.97 | — | — | |
| SCHEMBL10781612 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6991683 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL25385627 | 0.73 | — | — | |
| SCHEMBL8375324 | 0.73 | — | — | |
| SCHEMBL4034999 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL12462300 | 0.71 | — | — | |
| SCHEMBL177426 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8687044 | 0.70 | NPSR1 (0.34) | — | |
| SCHEMBL4969205 | 0.69 | — | — |
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-20070010004-A1 | Micellar systems | ROCHE MADISON INC. | 2007-01-11 | — | — | US | disclosed |
| US-7091041-B2 | Micellar systems | MIRUS BIO CORPORATION (US) | 2006-08-15 | — | — | US | disclosed |
| US-20040023393-A1 | Micellar systems | ROCHE MADISON INC. | 2004-02-05 | — | — | US | disclosed |
| US-6673612-B2 | GENERATION OF MICELLE FOR THE TRANSFER OF BIOPOLYMERS TO CELLS; FORM CATIONIC REVERSE MICELLE USING AMPHIPATHIC MOLECULES, INSERT BIPOLYMER, ADJUST THE CHARGE OF MICELLE , TRANSFER TO CELLS | MIRUS CORPORATION | 2004-01-06 | — | — | US | disclosed |
| US-20030027339-A1 | Micellar systems | ROCHE MADISON INC. | 2003-02-06 | — | — | US | disclosed |