⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1782031 | 1.00 | — | — | |
| SCHEMBL15447562 | 0.79 | — | — | |
| SCHEMBL317016 | 0.79 | — | — | |
| SCHEMBL15447570 | 0.79 | — | — | |
| SCHEMBL317017 | 0.79 | — | — | |
| SCHEMBL16449146 | 0.79 | — | — | |
| SCHEMBL28333345 | 0.79 | — | — | |
| SCHEMBL873697 | 0.79 | — | — | |
| SCHEMBL3104192 | 0.79 | — | — | |
| SCHEMBL3104197 | 0.79 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240426829-A1 | COMPOSITIONS AND METHODS FOR THE DETECTION OF BRAIN INJURY | CHILDRENS HOSPITAL PHILADELPHIA (US) | 2024-12-26 | — | — | US | claimed |
| US-20240085413-A1 | METHODS, DEVICES AND COMPOSITIONS FOR THE DISCRIMINATION OF PATHOGENS BASED ON PATTERNS OF VOLATILE COMPOUNDS | MONELL CHEMICAL SENSES CENTRE (US) | 2024-03-14 | — | — | US | claimed |
| WO-2022159381-A1 | METHODS, DEVICES AND COMPOSITIONS FOR THE DISCRIMINATION OF PATHOGENS BASED ON PATTERNS OF VOLATILE COMPOUNDS | MONELL CHEMICAL SENSES CENTER (US) | 2022-07-28 | — | — | WO | claimed |
| US-20240426829-A1 | COMPOSITIONS AND METHODS FOR THE DETECTION OF BRAIN INJURY | CHILDRENS HOSPITAL PHILADELPHIA (US) | 2024-12-26 | — | — | US | disclosed |
| CN-115245589-B | Novel degradable embolism microsphere with controllable particle size and preparation method thereof | 苏州浩微生物医疗科技有限公司 | 2024-08-20 | — | — | CN | disclosed |
| US-20240085413-A1 | METHODS, DEVICES AND COMPOSITIONS FOR THE DISCRIMINATION OF PATHOGENS BASED ON PATTERNS OF VOLATILE COMPOUNDS | MONELL CHEMICAL SENSES CENTRE (US) | 2024-03-14 | — | — | US | disclosed |
| WO-2022159381-A1 | METHODS, DEVICES AND COMPOSITIONS FOR THE DISCRIMINATION OF PATHOGENS BASED ON PATTERNS OF VOLATILE COMPOUNDS | MONELL CHEMICAL SENSES CENTER (US) | 2022-07-28 | — | — | WO | disclosed |
| EP-3031813-B1 | MONOPHOSPHITES WITH A MENTHOL | EVONIK DEGUSSA GMBH (DE) | 2016-11-23 | — | — | EP | disclosed |
| US-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| US-20110117147-A1 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |
| EP-0705812-B1 | Method for producing cyclopentadienes | NIPPON PETROCHEMICALS CO LTD (JP) | 1998-12-16 | — | — | EP | disclosed |
| US-5723708-A | REACTING ALDEHYDES AND KETONES ON THE PRESENCE OF ACID CATALYSTS OR BASIC CATALYSTS FOR ALDOL REACTION AND CYCLODEHYDRATION | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1998-03-03 | — | — | US | disclosed |
| EP-0705812-A1 | Method for producing cyclopentadienes | NIPPON PETROCHEMICALS CO., LTD. (JP) | 1996-04-10 | — | — | EP | disclosed |
| US-4686018-A | Organic electrolysis cell with sacrificial electrode | SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) | 1987-08-11 | — | — | US | disclosed |