⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6521797 | 1.00 | — | — | |
| SCHEMBL485861 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28016103 | 0.97 | — | — | |
| SCHEMBL907675 | 0.90 | — | — | |
| SCHEMBL6523651 | 0.90 | — | — | |
| SCHEMBL485954 | 0.90 | — | — | |
| SCHEMBL10589819 | 0.89 | — | — | |
| SCHEMBL24516945 | 0.88 | CYP2D6 (0.37) | — | |
| SCHEMBL13220625 | 0.88 | CYP2D6 (0.37) | — | |
| SCHEMBL3660515 | 0.88 | CYP2D6 (0.37) | — |
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-10323039-B2 | Enantioselective syntheses of heteroyohimbine natural product intermediates | NORTHWESTERN UNIVERSITY (US) | 2019-06-18 | — | — | US | disclosed |
| US-8426465-B2 | Substituted acylanilides and methods of use thereof | UNIVERSITY OF TENNESSE RESEARCH FOUNDATION (US) | 2013-04-23 | — | — | US | disclosed |
| EP-2543437-A2 | HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST | Takasago International Corporation (JP) | 2013-01-09 | — | — | EP | disclosed |
| US-20120136052-A1 | SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION | 2012-05-31 | — | — | US | disclosed |
| WO-2011108672-A2 | HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST | 高砂香料工業株式会社 (JP) | 2011-09-09 | — | — | WO | disclosed |
| US-20110053907-A1 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-03-03 | — | — | US | disclosed |
| EP-2276750-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009120094-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-10-01 | — | — | WO | disclosed |