⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5709830 | 0.85 | KMT2A (0.49) | — | |
| Nicotinaldehyde SCHEMBL28111361 | 0.84 | MAPT (0.49) | — | |
| SCHEMBL8200133 | 0.82 | L3MBTL1 (0.49) | — | |
| SCHEMBL256706 | 0.81 | CHRNB2 (0.62) | — | |
| SCHEMBL29511509 | 0.81 | CHRNB2 (0.62) | — | |
| SCHEMBL22714727 | 0.81 | CHRNB2 (0.62) | — | |
| SCHEMBL2305391 | 0.81 | CHRNB2 (0.62) | — | |
| SCHEMBL8201003 | 0.81 | TDP1 (0.51) | — | |
| SCHEMBL1515423 | 0.80 | — | — | |
| SCHEMBL1937380 | 0.80 | — | — |
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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373204-B1 | HETEROCYCLIC COMPOUNDS | JANSSEN PHARMACEUTICALS INC (US) | 2016-10-26 | — | — | EP | claimed |
| CN-101287723-A | Amidoalkylpyridylquinolines as NK3 receptor modulators | ASTRAZENECA AB (SE) | 2008-10-15 | — | — | CN | claimed |
| US-6924278-B2 | Heterocyclic carboxy amines such as (2R)-1-[3,5-Bis(trifluoromethyl)benzoyl]-4-[4-((3S)-3-ethylmorpholino)-2-butynyl]-2-[(1H-indol-3-yl)methyl]piperazine, used as substance P and neurokinin antagonist for prophylaxis of diseases | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2005-08-02 | — | — | US | claimed |
| US-20050027121-A1 | Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2005-02-03 | — | — | US | claimed |
| US-6610717-B2 | Selectively inhibits action of N-type calcium channel; treatment of ischemic cerebrovascular disorders caused by cerebral infarction or intracerebral bleeding, Alzheimer's disease, AIDS related dementia, Parkinson's disease | AJINOMOTO CO., INC. (JP) | 2003-08-26 | — | — | US | claimed |
| US-20030114668-A1 | AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-06-19 | — | — | US | claimed |
| US-20020193605-A1 | New dihydropyridine derivatives | AJINOMOTO CO. INC (JP) | 2002-12-19 | — | — | US | claimed |
| EP-1191022-A1 | NOVEL DIHYDROPYRIDINE DERIVATIVE | Ajinomoto Co., Inc. (JP) | 2002-03-27 | — | — | EP | claimed |
| US-6350762-B1 | SELECTIVELY INHIBIT THE ACTION OF N-TYPE CALCIUM CHANNEL; | AJINOMOTO CO., INC. (JP) | 2002-02-26 | — | — | US | claimed |
| US-20020010182-A1 | Piperazine derivatives as tachykinin antagonists | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-01-24 | — | — | US | claimed |
| EP-1043314-A1 | NOVEL DIHYDROPYRIDINE DERIVATIVE | Ajinomoto Co., Inc. (JP) | 2000-10-11 | — | — | EP | claimed |
| US-5859190-A | SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES | TREGA BIOSCIENCES, INC. (US) | 1999-01-12 | — | — | US | claimed |
| EP-0873320-A1 | PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-28 | — | — | EP | claimed |
| WO-1998033776-A1 | COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | claimed |
| WO-1997022597-A1 | PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-06-26 | — | — | WO | claimed |
| US-5550233-A | AUTOIMMUNE DISEASES; PREVENTION OF TRANSPLANT REJECTION | MERCK & CO., INC. (US) | 1996-08-27 | — | — | US | claimed |
| US-5252732-A | D-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity | MERCK & CO., INC. (US) | 1993-10-12 | — | — | US | claimed |
| US-3998815-A | LABILE; DRUGS | INTERX RESEARCH CORPORATION (US) | 1976-12-21 | — | — | US | claimed |
| US-10280193-B2 | Isoxazolidine derivatives | CHIESI FARMACEUTICI S.P.A. (IT) | 2019-05-07 | — | — | US | disclosed |
| US-5252732-A | D-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity | MERCK & CO., INC. (US) | 1993-10-12 | — | — | US | disclosed |