⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13741705 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15413957 | 0.98 | CA1 (0.35) | — | |
| SCHEMBL17953257 | 0.83 | — | — | |
| SCHEMBL20999419 | 0.83 | — | — | |
| SCHEMBL12311713 | 0.83 | — | — | |
| SCHEMBL24724789 | 0.83 | — | — | |
| SCHEMBL12509930 | 0.82 | — | — | |
| SCHEMBL18117423 | 0.82 | — | — | |
| SCHEMBL16272863 | 0.82 | MMP3 (0.32) | — | |
| SCHEMBL21206997 | 0.81 | CA1 (0.39) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200231638-A1 | STABILIZED ANTI-MICROBIAL PEPTIDES | DANA-FARBER CANCER INSTITUTE, INC. | 2020-07-23 | — | — | US | disclosed |
| US-8642584-B2 | Method of using PI3K and MEK modulators | EXELIXIS, INC. (US) | 2014-02-04 | — | — | US | disclosed |
| US-8399688-B2 | Production of levulinic acid, furfural, and gamma valerolactone from C5 and C6 carbohydrates in mono- and biphasic systems using gamma-valerolactone as a solvent | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-03-19 | — | — | US | disclosed |
| US-20120302545-A1 | Method of Using PI3K and MEK Modulators | EXELIXIS, INC. (US) | 2012-11-29 | — | — | US | disclosed |
| US-20120302767-A1 | PRODUCTION OF LEVULINIC ACID, FURFURAL, AND GAMMA VALEROLACTONE FROM C5 and C6 CARBOHYDRATES IN MONO- AND BIPHASIC SYSTEMS USING GAMMA- VALEROLACTONE AS A SOLVENT | UNITED STATES DEPARTMENT OF ENERGY | 2012-11-29 | — | — | US | disclosed |
| EP-2101759-A1 | METHODS OF USING MEK INHIBITORS | Exelixis, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008076415-A1 | METHODS OF USING MEK INHIBITORS | EXELIXIS, INC. (US) | 2008-06-26 | — | — | WO | disclosed |