⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL57190 | 0.83 | CYP2C19 (0.38) | — | |
| SCHEMBL1092293 | 0.81 | CYP2C19 (0.36) | — | |
| Hydrochloric Acid SCHEMBL28741000 | 0.81 | CYP2C19 (0.36) | — | |
| SCHEMBL111512 | 0.81 | EPHX1 (0.39) | — | |
| SCHEMBL5858073 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL270457 | 0.79 | CYP2C19 (0.46) | — | |
| SCHEMBL11111385 | 0.79 | — | — | |
| SCHEMBL190729 | 0.79 | ALOX15 (0.35) | — | |
| SCHEMBL9577525 | 0.79 | — | — | |
| SCHEMBL29100155 | 0.79 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2386060-A2 | SAMPLE COLLECTION AND MEASUREMENT IN A SINGLE CONTAINER BY BACK SCATTERING INTERFEROMETRY | Molecular Sensing, Inc. (US) | 2011-11-16 | — | — | EP | disclosed |
| US-20110252838-A1 | HANDLE | DAVID STUCKEY INVESTMENTS PTY LTD (AU) | 2011-10-20 | — | — | US | disclosed |
| US-20100188665-A1 | Methods and systems for interferometric analysis | MOLECULAR SENSING, INC. (US) | 2010-07-29 | — | — | US | disclosed |
| US-20100184056-A1 | Sample collection and measurement in a single container by back scattering interferometry | MOLECULAR SENSING, INC. (US) | 2010-07-22 | — | — | US | disclosed |
| WO-2010080708-A2 | METHODS AND SYSTEMS FOR INTERFEROMETRIC ANALYSIS | MOLECULAR SENSING, INC. (US) | 2010-07-15 | — | — | WO | disclosed |
| WO-2010080710-A2 | SAMPLE COLLECTION AND MEASUREMENT IN A SINGLE CONTAINER BY BACK SCATTERING INTERFEROMETRY | MOLECULAR SENSING, INC. (US) | 2010-07-15 | — | — | WO | disclosed |