⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3697794 | 1.00 | — | — | |
| SCHEMBL19551250 | 1.00 | — | — | |
| SCHEMBL27581774 | 0.73 | — | — | |
| SCHEMBL2872494 | 0.72 | — | — | |
| SCHEMBL27246 | 0.70 | — | — | |
| SCHEMBL19950766 | 0.70 | — | — | |
| SCHEMBL21561425 | 0.68 | — | — | |
| SCHEMBL15135369 | 0.68 | — | — | |
| SCHEMBL502695 | 0.68 | — | — | |
| SCHEMBL199 | 0.67 | CETP (0.39) | — |
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 781 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024064178-A1 | HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLINE VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2024-03-28 | — | — | WO | claimed |
| WO-2023208124-A1 | PIPERIDINE CARBOXAMIDE AZAINDANE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF | 熙源安健医药（上海）有限公司 | 2023-11-02 | — | — | WO | claimed |
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | claimed |
| EP-4074708-A1 | 1-(4-(ISOXAZOL-5-YL)-1H-PYRAZOL-1-YL)-2-METHYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS IL-7 AND IFN-GAMMA INHIBITORS FOR TREATING AUTOIMMUNE DISEASES AND CHRONIC INFLAMMATION | Immunic AG (DE) | 2022-10-19 | — | — | EP | claimed |
| EP-3679034-B1 | 1-(4-(ISOXAZOL-5-YL)-1H-PYRAZOL-1-YL)-2-METHYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS IL-7 AND IFN-GAMMA INHIBITORS FOR TREATING AUTOIMMUNE DISEASES AND CHRONIC INFLAMMATION | IMMUNIC AG (DE) | 2022-06-01 | — | — | EP | claimed |
| CN-108174603-B | 1-heteroaryl-indoline-4-carboxamides as GPR52 modulators | 阿芮纳制药有限公司 | 2021-07-02 | — | — | CN | claimed |
| CN-112469412-A | Substituted dihydropyrazolopyrazine carboxamide derivatives | 拜耳公司 | 2021-03-09 | — | — | CN | claimed |
| US-20210061796-A1 | IL-17 and IFN-gamma inhibition for the treatment of autoimmune diseases and chronic inflammation | IMMUNIC AG (DE) | 2021-03-04 | — | — | US | claimed |
| WO-2020225077-A1 | PYRIMIDO[4,5-B]INDOL DERIVATIVES AS PDHK1 INHIBITORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2020-11-12 | — | — | WO | claimed |
| CN-106687458-B | Substituted oxopyridine derivatives | 拜耳制药股份公司 | 2020-10-27 | — | — | CN | claimed |
| EP-1115693-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | Monsanto Company (US) | 2001-07-18 | — | — | EP | claimed |
| WO-2000018721-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | claimed |
| WO-2000018723-A1 | SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | claimed |
| WO-2000018724-A1 | (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | claimed |
| US-5969146-A | MONOAMINE OXIDASE INHIBITORS | SYNTHELABO (FR) | 1999-10-19 | — | — | US | claimed |
| EP-0835254-B1 | OXAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTICAL USE | SYNTHELABO (FR) | 1999-09-01 | — | — | EP | claimed |
| US-5843975-A | Oxazolidinone derivatives, their preparation and therapeutical use | SYNTHELABO (FR) | 1998-12-01 | — | — | US | claimed |
| EP-0339976-B1 | Anti-tumour agents | ICI PLC (GB) | 1994-02-02 | — | — | EP | claimed |
| US-4985441-A | QUINAZOLINE DERIVATIVE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-15 | — | — | US | claimed |
| EP-0339976-A1 | Anti-tumour agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-11-02 | — | — | EP | claimed |