⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3639922 | 0.80 | — | — | |
| SCHEMBL11044577 | 0.78 | — | — | |
| SCHEMBL8862242 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL4249285 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL9170032 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL23647946 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL29196267 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL10486904 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL114899 | 0.72 | — | — | |
| SCHEMBL21799 | 0.69 | — | — |
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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108440505-A | The total synthesis method of eptapirone | 中南大学 | 2018-08-24 | — | — | CN | claimed |
| WO-2017154022-A1 | NOVEL NICKEL CATALYST, PROCESS FOR PREPARATION AND USE THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2017-09-14 | — | — | WO | claimed |
| WO-2024054845-A1 | MACROCYCIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF | SIONNA THERAPEUTICS (US) | 2024-03-14 | — | — | WO | disclosed |
| WO-2023107723-A2 | METHODS FOR TREATING NEUROLOGICAL DISORDERS | PROTHENA BIOSCIENCES LIMITED (IE) | 2023-06-15 | — | — | WO | disclosed |
| EP-4065581-A1 | PROCESS FOR THE PREPARATION (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE | F. Hoffmann-La Roche AG (CH) | 2022-10-05 | — | — | EP | disclosed |
| US-11339138-B2 | Process and intermediates for the preparation of certain nematicidal sulfonamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2022-05-24 | — | — | US | disclosed |
| US-20210309621-A1 | PROCESS AND INTERMEDIATES FOR THE PREPARATION OF CERTAIN NEMATICIDAL SULFONAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2021-10-07 | — | — | US | disclosed |
| WO-2021105337-A1 | PROCESS FOR THE PREPARATION (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE | F. HOFFMANN-LA ROCHE AG (CH) | 2021-06-03 | — | — | WO | disclosed |
| EP-3743428-A1 | TRIAZOLO-AZEPINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2020-12-02 | — | — | EP | disclosed |
| EP-3728262-A1 | TRIAZOLO-AZEPINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2020-10-28 | — | — | EP | disclosed |
| EP-3535266-A1 | BICYCLIC HETEROARYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2019-09-11 | — | — | EP | disclosed |
| WO-2000049013-A1 | ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS | LKT LABORATORIES, INC. (US) | 2000-08-24 | — | — | WO | disclosed |
| EP-0979231-A1 | CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2000-02-16 | — | — | EP | disclosed |
| WO-1999067215-A1 | AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-12-29 | — | — | WO | disclosed |
| EP-0906332-A1 | 7$g(a)-(5-METHYLAMINOPENTYL)-ESTRATRIENES, PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS WHICH CONTAIN SAID 7$g(a)-(5-METHYLAMINOPENTYL)-ESTRATRIENES AND USE THEREOF FOR PRODUCTION OF DRUGS | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-04-07 | — | — | EP | disclosed |
| WO-1998049167-A1 | CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-11-05 | — | — | WO | disclosed |
| WO-1997045441-A1 | 7α-(5-METHYLAMINOPENTYL)-ESTRATRIENES, PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS WHICH CONTAIN SAID 7α-(5-METHYLAMINOPENTYL)-ESTRATRIENES AND USE THEREOF FOR PRODUCTION OF DRUGS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-12-04 | — | — | WO | disclosed |
| WO-1993001183-A1 | IMIDAZOLE DERIVATIVE AS ACAT INHIBITOR | RHONE-POULENC RORER LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |
| EP-0505468-A1 | IMIDAZOLES. | RHONE POULENC SANTE (FR) | 1992-09-30 | — | — | EP | disclosed |
| EP-0095925-B1 | HERBICIDAL IMIDAZOLE, PYRAZOLE, THIAZOLE AND ISOTHIAZOLE DERIVATIVES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-03-22 | — | — | EP | disclosed |