⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20776270 | 1.00 | — | — | |
| SCHEMBL24804500 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15468112 | 0.97 | — | — | |
| SCHEMBL5401825 | 0.79 | — | — | |
| SCHEMBL24804497 | 0.79 | — | — | |
| SCHEMBL9042987 | 0.77 | — | — | |
| SCHEMBL15196065 | 0.77 | — | — | |
| SCHEMBL108041 | 0.77 | — | — | |
| SCHEMBL10141472 | 0.77 | — | — | |
| SCHEMBL3724210 | 0.75 | CES2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0602914-B1 | Ink compositions for ink jet printing | XEROX CORP (US) | 1997-11-12 | — | — | EP | claimed |
| US-5300143-A | Water soluble dye, sulfone, and amide or cyclic amine | XEROX CORPORATION (US) | 1994-04-05 | — | — | US | claimed |
| US-20230331717-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2023-10-19 | — | — | US | disclosed |
| US-10822312-B2 | Substituted quinazoline compounds and methods of use | ARAXES PHARMA LLC (US) | 2020-11-03 | — | — | US | disclosed |
| US-20190127336-A1 | SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE | ARAXES PHARMA, LLC | 2019-05-02 | — | — | US | disclosed |
| US-10011600-B2 | Methods and compositions for inhibition of Ras | ARAXES PHARMA LLC (US) | 2018-07-03 | — | — | US | disclosed |
| US-20170247376-A1 | METHODS AND COMPOSITIONS FOR INHIBITION OF RAS | ARAXES PHARMA LLC (US) | 2017-08-31 | — | — | US | disclosed |
| US-20170088582-A1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS, INC. (US) | 2017-03-30 | — | — | US | disclosed |
| US-20170073370-A1 | BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS, INC. | 2017-03-16 | — | — | US | disclosed |
| US-20140249073-A1 | BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS, INC (US) | 2014-09-04 | — | — | US | disclosed |
| WO-2010132777-A2 | TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS | ACHAOGEN, INC. (US) | 2010-11-18 | — | — | WO | disclosed |
| EP-0602914-B1 | Ink compositions for ink jet printing | XEROX CORP (US) | 1997-11-12 | — | — | EP | disclosed |
| EP-0602914-A1 | Ink compositions for ink jet printing | XEROX CORPORATION (US) | 1994-06-22 | — | — | EP | disclosed |
| US-5300143-A | Water soluble dye, sulfone, and amide or cyclic amine | XEROX CORPORATION (US) | 1994-04-05 | — | — | US | disclosed |