⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17476601 | 0.90 | ALDH1A1 (0.45) | — | |
| SCHEMBL6102491 | 0.90 | ALDH1A1 (0.45) | — | |
| SCHEMBL16100464 | 0.89 | — | — | |
| SCHEMBL15523094 | 0.89 | — | — | |
| SCHEMBL16100463 | 0.89 | — | — | |
| SCHEMBL15523093 | 0.89 | — | — | |
| SCHEMBL5008482 | 0.86 | CXCR4 (0.40) | — | |
| SCHEMBL9457374 | 0.86 | CXCR4 (0.40) | — | |
| SCHEMBL16583982 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL7616222 | 0.79 | CXCR4 (0.38) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8642626-B2 | Ethinyl-pyrazole derivative | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2014-02-04 | — | — | US | disclosed |
| EP-2604602-A1 | HETEROARYL-PYRAZOLE DERIVATIVE | Taisho Pharmaceutical Co., Ltd. (JP) | 2013-06-19 | — | — | EP | disclosed |
| EP-2599775-A1 | ETHINYL-PYRAZOLE DERIVATIVE | Taisho Pharmaceutical Co., Ltd. (JP) | 2013-06-05 | — | — | EP | disclosed |
| US-20130137865-A1 | HETEROARYL-PYRAZOLE DERIVATIVE | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2013-05-30 | — | — | US | disclosed |
| US-20130123500-A1 | ETHINYL-PYRAZOLE DERIVATIVE | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2013-05-16 | — | — | US | disclosed |
| EP-1319661-B1 | PROCESS FOR PRODUCING A TRICYCLIC FUSED HETEROCYCLIC DERIVATIVE | TAKEDA PHARMACEUTICAL (JP) | 2006-03-01 | — | — | EP | disclosed |
| US-6881842-B2 | Process for producing tricyclic fused heterocyclic derivative | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-04-19 | — | — | US | disclosed |
| US-20030191150-A1 | Process for producing tricyclic fused heterocyclic derivative | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2003-10-09 | — | — | US | disclosed |
| EP-1319661-A1 | PROCESS FOR PRODUCING TRICYCLIC FUSED HETEROCYCLIC DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 2003-06-18 | — | — | EP | disclosed |
| US-5576332-A | Soft β-drenegic blocking agents | IVAX International GmbH (CH) | 1996-11-19 | — | — | US | disclosed |
| US-5482961-A | Soft β-adrenergic blocking agents | IVAX International GmbH (CH) | 1996-01-09 | — | — | US | disclosed |
| US-5474576-A | Composition containing metallo bleach catalyst, amine base catalyst stabilizer, enzymatic system capable of generating hydrogen peroxide | THE PROCTER & GAMBLE COMPANY (US) | 1995-12-12 | — | — | US | disclosed |
| US-5348976-A | Amide derivatives as fungicides safe for plants | KUMAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-09-20 | — | — | US | disclosed |
| US-5334601-A | Soft β-adrenergic blocking agents | IVAX International GmbH (CH) | 1994-08-02 | — | — | US | disclosed |
| US-5202347-A | Soft β-adrenergic blocking agents | IVAX International GmbH (CH) | 1993-04-13 | — | — | US | disclosed |
| US-5135926-A | Treatment of prevention of cardiovascular disorders; treatment of glaucoma | IVAX International GmbH (CH) | 1992-08-04 | — | — | US | disclosed |
| EP-0174956-B1 | SOFT $g(b)-ADRENERGIC BLOCKING AGENTS | BODOR, Nicholas S. (US) | 1990-08-16 | — | — | EP | disclosed |
| US-4829086-A | Soft β-adrenergic blocking agents | IVAX International GmbH (CH) | 1989-05-09 | — | — | US | disclosed |
| EP-0174956-A1 | SOFT -g(b)-ADRENERGIC BLOCKING AGENTS. | BODOR NICHOLAS S | 1986-03-26 | — | — | EP | disclosed |
| WO-1985004168-A1 | SOFT beta-ADRENERGIC BLOCKING AGENTS | BODOR NICHOLAS S | 1985-09-26 | — | — | WO | disclosed |