⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6526037 | 1.00 | — | — | |
| SCHEMBL908305 | 1.00 | — | — | |
| SCHEMBL485861 | 0.78 | — | — | |
| SCHEMBL6521797 | 0.78 | — | — | |
| SCHEMBL907976 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28016103 | 0.75 | — | — | |
| SCHEMBL907675 | 0.75 | — | — | |
| SCHEMBL485954 | 0.75 | — | — | |
| SCHEMBL6523651 | 0.75 | — | — | |
| SCHEMBL24516945 | 0.73 | 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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110669058-A | Tricyclic quinolone carboxylic acid and preparation method thereof | 江西农业大学 | 2020-01-10 | — | — | CN | claimed |
| US-20110053907-A1 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-03-03 | — | — | US | claimed |
| EP-2276750-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2011-01-26 | — | — | EP | claimed |
| WO-2009120094-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-10-01 | — | — | WO | claimed |
| WO-2020257998-A1 | A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS | HANGZHOU DAC BIOTECH CO., LTD (CN) | 2020-12-30 | — | — | WO | disclosed |
| CN-110669058-A | Tricyclic quinolone carboxylic acid and preparation method thereof | 江西农业大学 | 2020-01-10 | — | — | CN | disclosed |
| EP-2604601-B1 | HETERO RING COMPOUND | ASTELLAS PHARMA INC (JP) | 2016-02-24 | — | — | EP | disclosed |
| CN-104370856-A | Green synthesis method for preparing N-amino cycloaliphatic ring compound by reducing N-nitroso cycloaliphatic ring | PIXIAN FOREST NEW MATERIALS CO LTD | 2015-02-25 | — | — | CN | disclosed |
| US-8912180-B2 | Heterocyclic compound | ASTELLAS PHARMA INC. (JP) | 2014-12-16 | — | — | US | disclosed |
| EP-2604601-A1 | HETERO RING COMPOUND | Astellas Pharma Inc. (JP) | 2013-06-19 | — | — | EP | disclosed |
| US-20130150364-A1 | HETEROCYCLIC COMPOUND | ASTELLAS PHARMA INC. (JP) | 2013-06-13 | — | — | US | 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 |
| US-5227444-A | RETICULABLE POLYMER FOR APPLICATIONS IN NON-LINEAR OPTICS | THOMSON-CSF (FR) | 1993-07-13 | — | — | US | disclosed |