⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7573756 | 1.00 | — | — | |
| SCHEMBL7513919 | 1.00 | — | — | |
| SCHEMBL2915647 | 0.88 | KMT2A (0.44) | — | |
| SCHEMBL2909712 | 0.86 | SIGMAR1 (0.33) | — | |
| SCHEMBL2911869 | 0.86 | SIGMAR1 (0.42) | — | |
| SCHEMBL28485229 | 0.86 | SIGMAR1 (0.53) | — | |
| SCHEMBL18688613 | 0.81 | — | — | |
| SCHEMBL4727569 | 0.79 | KCNH2 (0.44) | — | |
| SCHEMBL7507846 | 0.79 | KCNH2 (0.44) | — | |
| SCHEMBL22335668 | 0.79 | SIGMAR1 (0.46) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1435363-B1 | Improving the physical properties of polyurethane foams using tertiary amino alkyl amide catalysts | AIR PROD & CHEM (US) | 2008-04-23 | — | — | EP | claimed |
| EP-1435365-B1 | Tertiary amino alkyl amide catalysts for improving the physical properties of polyurethane foams | AIR PROD & CHEM (US) | 2007-06-13 | — | — | EP | claimed |
| WO-2023116761-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 英矽智能科技知识产权有限公司 | 2023-06-29 | — | — | WO | disclosed |
| US-9790221-B2 | Heteroaryl compounds as IRAK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2017-10-17 | — | — | US | disclosed |
| EP-2382214-B1 | METHOD OF PREPARING (+)-1,4-DIHYDRO-7-[(3S,4S)-3-METHOXY-4-(METHYLAMINO)-1-PYRROLIDINYL]-4-OXO-1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID | SUNESIS PHARMACEUTICALS INC (US) | 2017-07-19 | — | — | EP | disclosed |
| US-20160145252-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-05-26 | — | — | US | disclosed |
| WO-2008021491-A2 | METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES | ACHILLION PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |
| EP-1401830-A2 | QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS | Warner-Lambert Company LLC (US) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002102793-A2 | QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2002-12-27 | — | — | WO | disclosed |
| EP-0207420-A2 | Pyridonecarboxylic acid derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1987-01-07 | — | — | EP | disclosed |