⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5827391 | 0.92 | IDO1 (0.46) | — | |
| SCHEMBL3935939 | 0.77 | CYP1A2 (0.56) | — | |
| P-Xylene SCHEMBL7526278 | 0.75 | — | — | |
| SCHEMBL282915 | 0.75 | TP53 (0.50) | — | |
| SCHEMBL11288839 | 0.73 | CYP1A2 (0.68) | — | |
| SCHEMBL143961 | 0.73 | CYP1A2 (0.68) | — | |
| SCHEMBL1149394 | 0.73 | IDO1 (0.58) | — | |
| SCHEMBL11410252 | 0.73 | IDO1 (0.58) | — | |
| SCHEMBL11400752 | 0.73 | MAOB (0.52) | — | |
| SCHEMBL9064997 | 0.73 | IDO1 (0.50) | — |
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 412 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114097792-A | Application of 2, 8-trifluoromethyl quinazolinone compound in preventing and treating agricultural plant diseases | 兰州大学 | 2022-03-01 | — | — | CN | claimed |
| CN-113512029-A | Preparation and application of substituted pyrazole compound containing pyrimidinamine | 沈阳中化农药化工研发有限公司 | 2021-10-19 | — | — | CN | claimed |
| EP-2006271-A9 | SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF | Asahi Kasei Pharma Corporation (JP) | 2009-07-29 | — | — | EP | claimed |
| US-20090054401-A1 | Substituted bicyclic derivatives and use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-02-26 | — | — | US | claimed |
| US-7482356-B2 | Bicyclic pyrazolone cytokine inhibitors | THE PROCTER & GAMBLE COMPANY (US) | 2009-01-27 | — | — | US | claimed |
| EP-2006271-A2 | SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF | Asahi Kasei Pharma Corporation (JP) | 2008-12-24 | — | — | EP | claimed |
| JP-2007510739-A | — | — | 2007-04-26 | — | — | JP | claimed |
| EP-1682551-A2 | BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS | THE PROCTER & GAMBLE COMPANY (US) | 2006-07-26 | — | — | EP | claimed |
| US-20060058553-A1 | Novel bicyclic hydroxamates as inhibitors of histone deacetylase | AXYS PHARMACEUTICALS, INC. (US) | 2006-03-16 | — | — | US | claimed |
| US-20050113392-A1 | Bicyclic pyrazolone cytokine inhibitors | THE PROCTER & GAMBLE COMPANY (US) | 2005-05-26 | — | — | US | claimed |
| EP-0635508-B1 | TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS | ASAHI CHEMICAL IND (JP) | 1999-10-06 | — | — | EP | claimed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | claimed |
| EP-0808303-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1997-11-26 | — | — | EP | claimed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | claimed |
| US-5621103-A | 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1997-04-15 | — | — | US | claimed |
| WO-1996024582-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1996-08-15 | — | — | WO | claimed |
| EP-0635508-A1 | TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1995-01-25 | — | — | EP | claimed |
| US-4610991-A | Antihypertensive pyridylaminobenzamide compounds | STERLING DRUG INC. (US) | 1986-09-09 | — | — | US | claimed |