⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1978211 | 0.77 | — | — | |
| SCHEMBL252022 | 0.74 | GABRA1 (0.31) | — | |
| SCHEMBL2188836 | 0.74 | APP (0.57) | — | |
| SCHEMBL563613 | 0.73 | APP (0.55) | — | |
| SCHEMBL1984212 | 0.72 | HAO1 (0.30) | — | |
| SCHEMBL482776 | 0.72 | NPSR1 (0.39) | — | |
| SCHEMBL14814587 | 0.72 | HRH3 (0.34) | — | |
| SCHEMBL1978631 | 0.72 | HTR2A (0.44) | — | |
| Diphenylacetylene SCHEMBL3842452 | 0.72 | APP (0.60) | — | |
| SCHEMBL3614755 | 0.72 | GRM5 (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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765816-B1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | GRUENENTHAL GMBH (DE) | 2010-03-10 | — | — | EP | claimed |
| US-7300939-B2 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-11-27 | — | — | US | claimed |
| US-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | claimed |
| EP-1765816-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2007-03-28 | — | — | EP | claimed |
| WO-2006002981-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2006-01-12 | — | — | WO | claimed |
| EP-4382546-A1 | POLY(UREA-URETHANE) POLYMER | BASF SE (DE) | 2024-06-12 | — | — | EP | disclosed |
| EP-4305085-A1 | POLYUREA COPOLYMER | BASF SE (DE) | 2024-01-17 | — | — | EP | disclosed |
| CN-116964122-A | Polyurea copolymers | 巴斯夫欧洲公司 | 2023-10-27 | — | — | CN | disclosed |
| US-20230092952-A1 | POLYUREA COPOLYMER | BASF SE (DE) | 2023-03-23 | — | — | US | disclosed |
| US-20230062261-A1 | POLYUREA COPOLYMER | BASF SE (DE) | 2023-03-02 | — | — | US | disclosed |
| CN-114846043-A | Polyurea copolymers | 巴斯夫欧洲公司 | 2022-08-02 | — | — | CN | disclosed |
| CN-114829442-A | Polyurea copolymers | 巴斯夫欧洲公司 | 2022-07-29 | — | — | CN | disclosed |
| WO-2007079958-A1 | SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007079960-A1 | SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007079961-A1 | SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007079957-A1 | SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| US-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | disclosed |
| EP-1765816-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006002981-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2006-01-12 | — | — | WO | disclosed |
| CN-1639161-A | Alkyne-aryl phosphodiesterase-4 inhibitors | MERCK FROSST CANADA INC (CA) | 2005-07-13 | — | — | CN | disclosed |