⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL637901 | 0.81 | — | — | |
| SCHEMBL4673160 | 0.80 | HCAR2 (0.39) | — | |
| SCHEMBL10449730 | 0.80 | CYP4F2 (0.42) | — | |
| SCHEMBL1562023 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL2036323 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL1785998 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL126096 | 0.78 | — | — | |
| SCHEMBL7693558 | 0.77 | CYP4F2 (0.44) | — | |
| SCHEMBL11701896 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5446995 | 0.76 | ALDH1A1 (0.48) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5696268-A | REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT | FUJIREBIO INC. (JP) | 1997-12-09 | — | — | US | claimed |
| US-5644059-A | REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT | FUJIREBIO INC. (JP) | 1997-07-01 | — | — | US | claimed |
| EP-0488345-A1 | 1,4-Dihydropyridine derivatives and methods of producing the same | FUJIREBIO INC. (JP) | 1992-06-03 | — | — | EP | claimed |
| EP-1095935-B1 | 6-Hydroxy-5,6-dihydrouracils as herbicides | SUMITOMO CHEMICAL CO (JP) | 2008-12-17 | — | — | EP | disclosed |
| EP-1270577-B1 | FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2006-12-06 | — | — | EP | disclosed |
| US-6924292-B2 | Furoisoquinoline derivatives, process for producing the same and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-08-02 | — | — | US | disclosed |
| US-20040092582-A1 | Furoisoquinoline derivatives, process for producing the same and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-05-13 | — | — | US | disclosed |
| EP-1270577-A1 | FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2003-01-02 | — | — | EP | disclosed |
| US-6410484-B1 | ACTIVE MATERIAL; CONTROLLING WEEDS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-06-25 | — | — | US | disclosed |
| EP-1095935-A1 | 6-Hydroxy-5,6-dihydrouracils as herbicides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-05-02 | — | — | EP | disclosed |
| EP-0888271-A4 | BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS | BERLEX LAB (US) | 2000-03-15 | — | — | EP | disclosed |
| US-5859244-A | EXHIBIT VASODILATING ACTIVITY BASED ON CALCIUM ANTAGONISM AND PLATELET-ACTIVATING FACTOR ANTAGONISM | FUJIREBIO, INC. (JP) | 1999-01-12 | — | — | US | disclosed |
| EP-0888271-A1 | BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS | BERLEX LABORATORIES, INC. (US) | 1999-01-07 | — | — | EP | disclosed |
| US-5763614-A | VASODILATION BASED ON CALCIUM ANTAGONISM AND PAF ANTAGONISM | FUJIREBIO INC. (JP) | 1998-06-09 | — | — | US | disclosed |
| US-5696268-A | REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT | FUJIREBIO INC. (JP) | 1997-12-09 | — | — | US | disclosed |
| WO-1997029067-A1 | BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS | BERLEX LABORATORIES, INC. (DE) | 1997-08-14 | — | — | WO | disclosed |
| US-5644059-A | REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT | FUJIREBIO INC. (JP) | 1997-07-01 | — | — | US | disclosed |
| US-5367081-A | Vasodilator, antiallergen | FUJIREBIO INC. (JP) | 1994-11-22 | — | — | US | disclosed |
| EP-0488345-A1 | 1,4-Dihydropyridine derivatives and methods of producing the same | FUJIREBIO INC. (JP) | 1992-06-03 | — | — | EP | disclosed |