⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL183475 | 0.79 | — | — | |
| SCHEMBL3385880 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL11782854 | 0.77 | KMT2A (0.50) | — | |
| SCHEMBL279818 | 0.77 | — | — | |
| SCHEMBL6853502 | 0.76 | KMT2A (0.38) | — | |
| SCHEMBL9357016 | 0.74 | DAO (0.31) | — | |
| SCHEMBL11277626 | 0.74 | — | — | |
| SCHEMBL9373295 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL7068025 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL18463708 | 0.74 | S1PR4 (0.37) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112041319-B | Triazole, imidazole and pyrrole fused piperazine derivatives and their use as mGlu5Use of modulators of receptors | 利康化学与制药工业有限公司 | 2024-05-14 | — | — | CN | disclosed |
| US-11591337-B2 | Substituted [1,2,4]triazolo[4,3-a]pyrazines as modulators of mGlu5 receptors | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) | 2023-02-28 | — | — | US | disclosed |
| US-20210047331-A1 | TRIAZOLE, IMIDAZOLE AND PYRROLE CONDENSED PIPERAZINE DERIVATIVES AND THEIR USE AS MODULATORS OF mGlu5 RECEPTORS | RECORDATI IND CHIMICA E FARMACEUTICA S P A (IT) | 2021-02-18 | — | — | US | disclosed |
| EP-3743429-A1 | TRIAZOLE, IMIDAZOLE AND PYRROLE CONDENSED PIPERAZINE DERIVATIVES AND THEIR USE AS MODULATORS OF mGlu5 RECEPTORS | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) | 2020-12-02 | — | — | EP | disclosed |
| WO-2019145214-A1 | TRIAZOLE, IMIDAZOLE AND PYRROLE CONDENSED PIPERAZINE DERIVATIVES AND THEIR USE AS MODULATORS OF mGlu5 RECEPTORS | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A (IT) | 2019-08-01 | — | — | WO | disclosed |
| CN-1231816-C | Photoresist compositions | SUMITOMO CHEMICAL CO (JP) | 2005-12-14 | — | — | CN | disclosed |
| EP-0945764-B1 | Photoresist composition | SUMITOMO CHEMICAL CO (JP) | 2003-06-18 | — | — | EP | disclosed |
| US-6258507-B1 | UNSATURATED AROMATIC ACRYLATED ESTER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-07-10 | — | — | US | disclosed |
| CN-1230704-A | Photoresist compositions | SUMITOMO CHEMICAL CO (JP) | 1999-10-06 | — | — | CN | disclosed |
| EP-0945764-A2 | Photoresist composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-09-29 | — | — | EP | disclosed |
| US-4344943-A | ANALGESICS, ANTIINFLAMMATORY AGENTS | SYNTEX (U.S.A.) INC. (US) | 1982-08-17 | — | — | US | disclosed |
| US-4097485-A | HERBICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1978-06-27 | — | — | US | disclosed |
| US-4086241-A | Benzothiazolylimidazolidinone esters of furyl and thienyl substituted acids | VELSICOL CHEMICAL CORPORATION (US) | 1978-04-25 | — | — | US | disclosed |
| US-4061648-A | HERBICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1977-12-06 | — | — | US | disclosed |
| US-3998960-A | ANALGESIC, ANTITUSSIVE, OPIATE ANTAGONIST | BOEHRINGER INGELHEIM GMBH (DT) | 1976-12-21 | — | — | US | disclosed |
| US-3997539-A | HYPOTENSIVE, TRANQUILIZER | AMERICAN HOECHST CORPORATION (US) | 1976-12-14 | — | — | US | disclosed |
| US-3931194-A | ANALGESIC, ANTITUSSIVE, OPIATE ANTAGONIST | BOEHRINGER INGELHEIM GMBH (DT) | 1976-01-06 | — | — | US | disclosed |