⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4614051 | 1.00 | TSHR (0.47) | — | |
| SCHEMBL11314262 | 0.93 | TSHR (0.41) | — | |
| SCHEMBL4592512 | 0.90 | — | — | |
| SCHEMBL13500013 | 0.89 | TSHR (0.48) | — | |
| SCHEMBL7536089 | 0.87 | GBA1 (0.44) | — | |
| SCHEMBL31601986 | 0.87 | GBA1 (0.44) | — | |
| SCHEMBL4603376 | 0.86 | — | — | |
| SCHEMBL21215385 | 0.85 | MEN1 (0.50) | — | |
| SCHEMBL19102293 | 0.85 | MEN1 (0.45) | — | |
| SCHEMBL25957609 | 0.85 | MEN1 (0.44) | — |
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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1280798-B1 | BICYCLIC HETEROCYLCES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PRODUCING THEM | BOEHRINGER INGELHEIM PHARMA (DE) | 2007-01-03 | — | — | EP | claimed |
| EP-1315720-B1 | BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM PHARMA (DE) | 2005-07-06 | — | — | EP | claimed |
| US-6740651-B2 | TREATING PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT. | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2004-05-25 | — | — | US | claimed |
| US-6627634-B2 | Antitumor agents, treatment of the lungs and respiratory tract | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-09-30 | — | — | US | claimed |
| US-20020115675-A1 | Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-08-22 | — | — | US | claimed |
| US-20010044435-A1 | Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2001-11-22 | — | — | US | claimed |
| EP-0103500-B1 | PHENETHYL-1-ALPHA-PHENYL-PIPERIDINE-3-PROPANE-NITRILE DERIVATIVES, THEIR PREPARATION AND THERAPEUTICAL USE | SYNTHELABO (FR) | 1988-01-13 | — | — | EP | claimed |
| CN-117980310-A | Alkylene derivatives as KRAS inhibitors | 尼坎治疗公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-108069969-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and application | 南京海璞医药科技有限公司 | 2020-09-18 | — | — | CN | disclosed |
| EP-3129344-B1 | METHOD FOR PREPARATION OF 4-ALKOXY-1,1,1-TRIFLUOROBUT-3-EN-2- ONES FROM 1,1,1-TRIFLUOROACETONE | LONZA AG (CH) | 2017-10-18 | — | — | EP | disclosed |
| US-9663436-B1 | Method for preparation of 4-alkoxy-1,1,1-trifluorobut-3-en-2-ones from 1,1,1-trifluoroacetone | LONZA LTD (CH) | 2017-05-30 | — | — | US | disclosed |
| US-20170137359-A1 | Method For Preparation of 4-Alkoxy-1,1,1-Trifluorobut-3-en-2-ones From 1,1,1-Trifluoroacetone | LONZA LTD (CH) | 2017-05-18 | — | — | US | disclosed |
| EP-3129344-A1 | METHOD FOR PREPARATION OF 4-ALKOXY-1,1,1-TRIFLUOROBUT-3-EN-2- ONES FROM 1,1,1-TRIFLUOROACETONE | Lonza Ltd (CH) | 2017-02-15 | — | — | EP | disclosed |
| EP-0177515-A4 | 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. | SANDOZ LTD (CH) | 1986-09-23 | — | — | EP | disclosed |
| EP-0177515-A1 | 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. | SANDOZ LTD (CH) | 1986-04-16 | — | — | EP | disclosed |
| WO-1985004403-A1 | 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SANDOZ LTD. (CH) | 1985-10-10 | — | — | WO | disclosed |
| EP-0061379-B1 | PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THERAPEUTIC PREPARATIONS | SYNTHELABO (FR) | 1985-10-02 | — | — | EP | disclosed |
| US-4481207-A | CALCIUM ANTAGONISTS, HYPOTENSIVES | SYNTHELABO (FR) | 1984-11-06 | — | — | US | disclosed |
| US-4406907-A | Certain 2,5-disubstituted pyridine derivatives producing β-adrenergic blocking action | SYNTHELABO (FR) | 1983-09-27 | — | — | US | disclosed |
| US-4401820-A | IN THE PRESENCE OF AN ACYCLIC ACID AND AN ALDEHYDE; STABILITY | TANABE SEIYAKU CO., LTD. (JP) | 1983-08-30 | — | — | US | disclosed |