⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL7252646 | 0.97 | — | — | |
| SCHEMBL11760674 | 0.87 | RPS6KA5 (0.33) | — | |
| SCHEMBL27467746 | 0.84 | LMNA (0.33) | — | |
| SCHEMBL29483856 | 0.72 | — | — | |
| SCHEMBL467548 | 0.72 | — | — | |
| SCHEMBL63023 | 0.72 | — | — | |
| Rubidium SCHEMBL30607150 | 0.70 | — | — | |
| SCHEMBL29090815 | 0.70 | — | — | |
| SCHEMBL29090819 | 0.70 | PSMD14 (0.30) | — | |
| SCHEMBL29090816 | 0.70 | PSMD14 (0.30) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021213111-A1 | SNAIL INHIBITOR, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 中国药科大学 (CN) | 2021-10-28 | — | — | WO | disclosed |
| CN-110325554-A | Manufacturing method, modified conjugated diene polymer, rubber composition and the tire of modified conjugated diene polymer | 株式会社普利司通 | 2019-10-11 | — | — | CN | disclosed |
| CN-106604935-B | Method for producing terminal-modified conjugated diene polymer, rubber composition, and tire | 株式会社普利司通 | 2019-02-22 | — | — | CN | disclosed |
| CN-109153737-A | The manufacturing method of terminal-modified conjugated diolefin polymer, rubber composition, rubber product and terminal-modified conjugated diolefin polymer | 株式会社普利司通 | 2019-01-04 | — | — | CN | disclosed |
| CN-109071685-A | Terminal-modified conjugated diene polymer, rubber composition, and rubber article | 株式会社普利司通 | 2018-12-21 | — | — | CN | disclosed |
| US-9873674-B2 | C-Rel inhibitors and uses thereof | CORNELL UNIVERSITY (US) | 2018-01-23 | — | — | US | disclosed |
| CN-106604935-A | Method for producing terminal-modified conjugated diene polymer, rubber composition, and tire | 株式会社普利司通 | 2017-04-26 | — | — | CN | disclosed |
| US-20150218109-A1 | C-REL INHIBITORS AND USES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-08-06 | — | — | US | disclosed |
| WO-2014047232-A2 | C-REL INHIBITORS AND USES THEREOF | CORNELL UNIVERSITY (US) | 2014-03-27 | — | — | WO | disclosed |
| 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 | disclosed |
| EP-1299388-B1 | VARIOLIN DERIVATIVES AS ANTI-CANCER AGENTS | PHARMA MAR SA (ES) | 2009-05-13 | — | — | EP | disclosed |
| US-7495000-B2 | Variolin derivatives and their use as antitumor agents | PHARMA MAR, S.A. (ES) | 2009-02-24 | — | — | US | disclosed |
| US-20080146565-A1 | JNK modulators | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | disclosed |
| US-7320981-B2 | Antitumor agents | PHARMA MAR, S.A. (ES) | 2008-01-22 | — | — | US | disclosed |
| CN-1301992-C | Pyrazolyl pyrimidines | BAYER AGRICULTURE CROP SCENCE (DE) | 2007-02-28 | — | — | CN | disclosed |
| US-7087616-B2 | Pyrazolyl pyrimidines | BAYER CROPSCIENCE AG (DE) | 2006-08-08 | — | — | US | disclosed |
| US-20040102465-A1 | Pyrazolyl pyrimidines | BAYER CROPSCIENCE AG (DE) | 2004-05-27 | — | — | US | disclosed |
| CN-1492864-A | Pyrazolyl pyrimidines | �ݶ�ũ�����ѧ�ɷݹ�˾ | 2004-04-28 | — | — | CN | disclosed |
| EP-1363905-A1 | PYRAZOLYL PYRIMIDINES | Bayer CropScience AG (DE) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002068413-A1 | PYRAZOLYL PYRIMIDINES | BAYER CROPSCIENCE AG (DE) | 2002-09-06 | — | — | WO | disclosed |