⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL84187 | 0.74 | — | — | |
| SCHEMBL2205802 | 0.69 | — | — | |
| SCHEMBL15641693 | 0.69 | — | — | |
| SCHEMBL5986850 | 0.69 | — | — | |
| SCHEMBL1667012 | 0.69 | — | — | |
| SCHEMBL14562477 | 0.68 | — | — | |
| SCHEMBL302038 | 0.68 | — | — | |
| SCHEMBL2529976 | 0.67 | — | — | |
| SCHEMBL15495614 | 0.67 | — | — | |
| SCHEMBL27869050 | 0.67 | — | — |
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 13 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 |
| US-8039500-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-18 | — | — | US | disclosed |
| US-20100048658-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-02-25 | — | — | US | disclosed |
| EP-2125753-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008082003-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-10 | — | — | WO | disclosed |
| US-5859244-A | EXHIBIT VASODILATING ACTIVITY BASED ON CALCIUM ANTAGONISM AND PLATELET-ACTIVATING FACTOR ANTAGONISM | FUJIREBIO, INC. (JP) | 1999-01-12 | — | — | US | 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 |
| 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 |