⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1289830 | 0.82 | — | — | |
| SCHEMBL1632473 | 0.75 | — | — | |
| SCHEMBL19814304 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL285449 | 0.73 | — | — | |
| SCHEMBL5840004 | 0.73 | — | — | |
| SCHEMBL1259870 | 0.73 | — | — | |
| SCHEMBL288323 | 0.73 | — | — | |
| SCHEMBL336775 | 0.71 | — | — | |
| SCHEMBL1630881 | 0.71 | — | — | |
| SCHEMBL11325457 | 0.71 | — | — |
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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115466251-B | Condensed heterocyclic compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-06-21 | — | — | CN | claimed |
| CN-114591318-B | Pyrazolo heterocyclic compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2024-06-21 | — | — | CN | claimed |
| CN-114507227-B | Benzisothiazole compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-06-21 | — | — | CN | claimed |
| CN-115504973-B | Benzisoxazole compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-05-14 | — | — | CN | claimed |
| CN-116924976-A | Diaryl heterocyclic amine compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2023-10-24 | — | — | CN | claimed |
| EP-2592070-B1 | Tetrazole-substituted arylamides | HOFFMANN LA ROCHE (CH) | 2016-08-31 | — | — | EP | claimed |
| EP-2592070-A2 | Tetrazole-substituted arylamides | F. Hoffmann-La Roche AG (CH) | 2013-05-15 | — | — | EP | claimed |
| US-8399462-B2 | 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain | ROCHE PALO ALTO LLC (US) | 2013-03-19 | — | — | US | claimed |
| CN-102712619-A | 5-hydroxypyrimidine-4-carboxamide derivative | DAIICHI SANKYO CO LTD | 2012-10-03 | — | — | CN | claimed |
| EP-2102194-A1 | SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS | F. Hoffmann-Roche AG (CH) | 2009-09-23 | — | — | EP | claimed |
| WO-2008068171-A9 | SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS | HOFFMANN LA ROCHE (CH) | 2009-07-16 | — | — | WO | claimed |
| US-20080146565-A1 | JNK modulators | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | claimed |
| WO-2008068171-A1 | SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-12 | — | — | WO | claimed |
| CN-1173979-C | Propenyl cephalosporin derivatives | ��������ҩ�ɷ�����˾ | 2004-11-03 | — | — | CN | claimed |
| CN-115466251-B | Condensed heterocyclic compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-06-21 | — | — | CN | disclosed |
| CN-114591318-B | Pyrazolo heterocyclic compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2024-06-21 | — | — | CN | disclosed |
| CN-114507227-B | Benzisothiazole compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-06-21 | — | — | CN | disclosed |
| EP-0496081-B1 | Rigid polyurethane and polyisocyanurate foams | CYTEC TECH CORP (US) | 1997-04-16 | — | — | EP | disclosed |
| EP-0496081-A2 | Rigid polyurethane and polyisocyanurate foams | CYTEC TECHNOLOGY CORP. (US) | 1992-07-29 | — | — | EP | disclosed |
| US-5102923-A | From the reaction of polyisocyanate with heterocyclic nitrogen containing polybeta-hydroxy urethane functional polyols; flame retardant | AMERICAN CYANAMID COMPANY (US) | 1992-04-07 | — | — | US | disclosed |