⚠ 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 | |
|---|---|---|---|---|
| Allylamine SCHEMBL25277708 | 0.87 | — | — | |
| Allylamine SCHEMBL8155145 | 0.84 | ALDH1A1 (0.60) | — | |
| Allylamine SCHEMBL175714 | 0.84 | — | — | |
| Allylamine SCHEMBL28303732 | 0.81 | — | — | |
| Acrylamide SCHEMBL6672032 | 0.81 | — | — | |
| Allylamine SCHEMBL17868863 | 0.81 | — | — | |
| Allylamine SCHEMBL438669 | 0.80 | ALDH1A1 (0.64) | — | |
| Allylamine SCHEMBL28828732 | 0.80 | ALDH1A1 (0.64) | — | |
| Allylamine SCHEMBL156788 | 0.80 | — | — | |
| Allylamine SCHEMBL18815995 | 0.80 | ALDH1A1 (0.64) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040214848-A1 | Inhibitors of ABC drug transporters in microbial cells | SCHOENHARD GRANT L (US) | 2004-10-28 | — | — | US | claimed |
| US-20030130171-A1 | Inhibitors of ABC drug transporters in multidrug resistant microbial cells | SCHOENHARD GRANT L (US) | 2003-07-10 | — | — | US | claimed |
| WO-2003037310-A2 | USE OF INHIBITORS OF THE ABC DRUG TRANSPORTER TO INCREASE THE ACTIVITY OF ANTI-MICROBIAL AGENTS | PAIN THERAPEUTICS, INC. (US) | 2003-05-08 | — | — | WO | claimed |
| EP-0100909-B1 | HERBICIDE COMPOSITIONS OF EXTENDED SOIL LIFE | STAUFFER CHEMICAL COMPANY (US) | 1986-06-04 | — | — | EP | claimed |
| US-20040214848-A1 | Inhibitors of ABC drug transporters in microbial cells | SCHOENHARD GRANT L (US) | 2004-10-28 | — | — | US | disclosed |
| US-20030130171-A1 | Inhibitors of ABC drug transporters in multidrug resistant microbial cells | SCHOENHARD GRANT L (US) | 2003-07-10 | — | — | US | disclosed |
| WO-2003037310-A2 | USE OF INHIBITORS OF THE ABC DRUG TRANSPORTER TO INCREASE THE ACTIVITY OF ANTI-MICROBIAL AGENTS | PAIN THERAPEUTICS, INC. (US) | 2003-05-08 | — | — | WO | disclosed |
| US-5627153-A | BACTERICIDAL, PERMEABILITY-INDUCING PROTEIN PRODUCT | XOMA CORPORATION (US) | 1997-05-06 | — | — | US | disclosed |