⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6875488 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL28962243 | 0.77 | HCAR2 (0.43) | — | |
| SCHEMBL1595411 | 0.77 | HCAR2 (0.43) | — | |
| SCHEMBL17842223 | 0.77 | ALDH1A1 (0.45) | — | |
| SCHEMBL3345679 | 0.75 | — | — | |
| SCHEMBL3405586 | 0.75 | — | — | |
| Bicarbonate SCHEMBL11500913 | 0.73 | ALDH1A1 (0.62) | — | |
| Bicarbonate SCHEMBL376795 | 0.73 | ALDH1A1 (0.62) | — | |
| Acrylic Acid SCHEMBL9299466 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL6905635 | 0.73 | ALDH1A1 (0.40) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017041112-A1 | KETAMINE AND CYTOCHROME P 450 INHIBITOR COMBINATIONS | CYPRUS THERAPEUTICS, INC. (US) | 2017-03-09 | — | — | WO | disclosed |
| EP-2280601-A2 | AMINO ACID INHIBITORS OF CYTOCHROME P450 | Sequoia Pharmaceuticals, Inc. (US) | 2011-02-09 | — | — | EP | disclosed |
| EP-2257160-A1 | DIAMIDE INHIBITORS OF CYTOCHROME P450 | Sequoia Pharmaceuticals, Inc. (US) | 2010-12-08 | — | — | EP | disclosed |
| EP-2254410-A1 | METHODS FOR INHIBITING DRUG DEGRADATION | Sequoia Pharmaceuticals, Inc. (US) | 2010-12-01 | — | — | EP | disclosed |
| EP-2224923-A1 | COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 2D6 | Sequoia Pharmaceuticals, Inc. (US) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009105776-A1 | DIAMIDE INHIBITORS OF CYTOCHROME P450 | SEQUOIA PHARMACEUTICALS, INC. (US) | 2009-08-27 | — | — | WO | disclosed |
| WO-2009105781-A1 | METHODS FOR INHIBITING DRUG DEGRADATION | SEQUOIA PHARMACEUTICALS, INC. (US) | 2009-08-27 | — | — | WO | disclosed |
| WO-2009105774-A2 | AMINO ACID INHIBITORS OF CYTOCHROME P450 | SEQUOIA PHARMACEUTICALS, INC. (US) | 2009-08-27 | — | — | WO | disclosed |
| EP-1750696-A4 | RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS | SEQUOIA PHARMACEUTICALS INC (US) | 2009-07-15 | — | — | EP | disclosed |
| WO-2009070744-A1 | COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 2D6 | SEQUOIA PHARMACEUTICALS, INC. (US) | 2009-06-04 | — | — | WO | disclosed |
| CN-100345869-C | Aqueous polymer dispersions, method for the production thereof and use thereof, especially in anti-corrosion coatings | NIPPON SYNTHETIC CHEM IND (JP) | 2007-10-31 | — | — | CN | disclosed |
| EP-1750696-A2 | RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS | SEQUOIA PHARMACEUTICALS, INC. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005110428-A2 | RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS | SEQUOIA PHARMACEUTICALS, INC. (US) | 2005-11-24 | — | — | WO | disclosed |
| CN-1688614-A | Aqueous polymer dispersions, method for the production thereof and use thereof, especially in anti-corrosion coatings | NIPPON SYNTHETIC CHEM IND (JP) | 2005-10-26 | — | — | CN | disclosed |