⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13825653 | 1.00 | ESR1 (0.40) | — | |
| SCHEMBL13646378 | 1.00 | ESR1 (0.40) | — | |
| Cyclopentane SCHEMBL9063672 | 1.00 | ESR1 (0.40) | — | |
| SCHEMBL4986081 | 1.00 | ESR1 (0.40) | — | |
| SCHEMBL14306984 | 1.00 | ESR1 (0.40) | — | |
| SCHEMBL738125 | 1.00 | ESR1 (0.40) | — | |
| SCHEMBL20903 | 1.00 | — | — | |
| SCHEMBL16260127 | 1.00 | ESR1 (0.40) | — | |
| SCHEMBL13973760 | 1.00 | ESR1 (0.40) | — | |
| Cyclohexane SCHEMBL7799464 | 1.00 | ESR1 (0.40) | — |
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 1202 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120004802-A | Method for synthesizing N-alkyl substituted 3, 5-dimethylpyrazole compound by one-pot method | 四川轻化工大学 | 2025-05-16 | — | — | CN | claimed |
| CN-117486835-A | Cabazitaxel prodrug self-assembled nano preparation and preparation method and application thereof | 沈阳药科大学 | 2024-02-02 | — | — | CN | claimed |
| EP-2648675-A1 | HAIR RELAXING AND STRAIGHTENING COMPOSITIONS | International Flora Technologies, Ltd. (US) | 2013-10-16 | — | — | EP | claimed |
| US-8461135-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | claimed |
| US-8455521-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-06-04 | — | — | US | claimed |
| US-20120148517-A1 | Hair Relaxing and Straightening Compositions | INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) | 2012-06-14 | — | — | US | claimed |
| WO-2012078658-A1 | HAIR RELAXING AND STRAIGHTENING COMPOSITIONS | INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) | 2012-06-14 | — | — | WO | claimed |
| US-8106221-B2 | Renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2012-01-31 | — | — | US | claimed |
| US-8039450-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | claimed |
| US-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. | 2011-05-05 | — | — | US | claimed |
| WO-2007117557-A2 | DIAMINOPROPANOL RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | claimed |
| EP-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | claimed |
| WO-2007006814-A1 | UREA GLUCOKINASE ACTIVATORS | NOVO NORDISK A/S (DK) | 2007-01-18 | — | — | WO | claimed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | WO | claimed |
| US-20060004123-A1 | PHASE CHANGE INK PRINTING PROCESS | XEROX CORPORATION | 2006-01-05 | — | — | US | claimed |
| US-20050245554-A1 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. | 2005-11-03 | — | — | US | claimed |
| EP-1546115-A2 | SUBSTITUTED PYRIMIDINES | Merck & Co., Inc. (US) | 2005-06-29 | — | — | EP | claimed |
| WO-2004029204-A2 | SUBSTITUTED PYRIMIDINES | MERCK & CO., INC. (US) | 2004-04-08 | — | — | WO | claimed |
| US-6319310-B1 | FOR ACOUSTIC INK JET PRINTING; TRANSPARENCY, GLOSS, CREASE RESISTANCE | XEROX CORPORATION | 2001-11-20 | — | — | US | claimed |
| US-5922117-A | Ink compositions containing alcohols | XEROX CORPORATION (US) | 1999-07-13 | — | — | US | claimed |