⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4265793 | 0.81 | — | — | |
| SCHEMBL1841092 | 0.78 | — | — | |
| SCHEMBL1060177 | 0.78 | — | — | |
| SCHEMBL5948694 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL6202258 | 0.75 | — | — | |
| SCHEMBL5749958 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL8524796 | 0.73 | — | — | |
| SCHEMBL4365509 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL235759 | 0.73 | KDM4E (0.36) | — | |
| SCHEMBL317785 | 0.73 | KDM4E (0.36) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006094556-A1 | POLYELECTROLYTES BASED ON DIQUATERNARY DI-AMMONIUM MONOMERS | TAMINCO N.V. (BE) | 2006-09-14 | — | — | WO | claimed |
| EP-1648426-B1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LTD (GB) | 2014-01-08 | — | — | EP | disclosed |
| EP-2049516-A2 | PHARMACEUTICAL COMPOUNDS | Astex Therapeutics Limited (GB) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008007123-A2 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-01-17 | — | — | WO | disclosed |
| WO-2006094556-A1 | POLYELECTROLYTES BASED ON DIQUATERNARY DI-AMMONIUM MONOMERS | TAMINCO N.V. (BE) | 2006-09-14 | — | — | WO | disclosed |
| US-6841697-B2 | Process for preparing 2-(dimethylamino)-1-(dimethyl-aminomethyl) ethyl meth (acrylate) | ATOFINA (FR) | 2005-01-11 | — | — | US | disclosed |
| JP-2002363145-A | METHOD FOR PRODUCING 2-(DIMETHYLAMINO)-1-(DIMETHYLAMINOMETHYL)ETHYL METH(ACRYLATE) | ATOFINA | 2002-12-18 | — | — | JP | disclosed |
| JP-2002363145-A | METHOD FOR PRODUCING 2-(DIMETHYLAMINO)-1-(DIMETHYLAMINOMETHYL)ETHYL METH(ACRYLATE) | ATOFINA | 2002-12-18 | — | — | JP | disclosed |
| US-20020183543-A1 | Process for preparing 2-(dimethylamino)-1-(dimethyl-aminomethyl) ethyl meth (acrylate) | ATOFINA (FR) | 2002-12-05 | — | — | US | disclosed |
| US-6004823-A | Compounds | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-21 | — | — | US | disclosed |
| US-6001850-A | HAVING GONADOTROPIN-RELEASING HORMONE ANTAGONISTIC ACTIVITY ARE USEFUL AS PROPHYLACTIC OR THERAPEUTIC AGENTS FOR THE PREVENTION OR TREATMENT OF SEVERAL HORMONE DEPENDENT DISEASES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-12-14 | — | — | US | disclosed |
| US-5977132-A | GALACTORRHEA, HYPERPROLACTINEMIC OVULATION, PROLACTINOMA AND BRAIN TUMORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-11-02 | — | — | US | disclosed |
| EP-0781774-A2 | Prolactin production inhibitory agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-02 | — | — | EP | disclosed |
| EP-0091057-B1 | 5,6-DIHYDRO-11-ALKYLENE-MOPHANTRIDIN-6-ONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1986-06-11 | — | — | EP | disclosed |
| US-4347182-A | Preparation of penicillanic acid derivatives | BEECHAM GROUP LIMITED (GB) | 1982-08-31 | — | — | US | disclosed |