⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3098037 | 0.85 | — | — | |
| SCHEMBL9748897 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL30138123 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL25423053 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL28956079 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL3215942 | 0.80 | — | — | |
| SCHEMBL10777713 | 0.79 | FAAH (0.54) | — | |
| SCHEMBL11286980 | 0.79 | FAAH (0.48) | — | |
| SCHEMBL3227163 | 0.78 | — | — | |
| SCHEMBL228965 | 0.76 | — | — |
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 127 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117321059-A | Tetracyclic compounds for the treatment of Zika virus infection | 吉利德科学公司 | 2023-12-29 | — | — | CN | disclosed |
| WO-2018103058-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE | JANSSEN PHARMACEUTICA NV (BE) | 2018-06-14 | — | — | WO | disclosed |
| US-20180066007-A1 | Macrocyclic Compounds And Methods Of Making And Using The Same | BioVersys AG (CH) | 2018-03-08 | — | — | US | disclosed |
| US-20180066007-A1 | Macrocyclic Compounds And Methods Of Making And Using The Same | BioVersys AG (CH) | 2018-03-08 | — | — | US | disclosed |
| EP-2983790-A2 | METHODS FOR TREATING CANCER | Boston Biomedical, Inc. (US) | 2016-02-17 | — | — | EP | disclosed |
| EP-2438067-B1 | SPIROLACTAMS AS CGRP-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2015-08-26 | — | — | EP | disclosed |
| US-20150158901-A1 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | BioVersys AG (CH) | 2015-06-11 | — | — | US | disclosed |
| US-20150158901-A1 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | BioVersys AG (CH) | 2015-06-11 | — | — | US | disclosed |
| US-20150158901-A1 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | BioVersys AG (CH) | 2015-06-11 | — | — | US | disclosed |
| US-20150087641-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. | 2015-03-26 | — | — | US | disclosed |
| WO-2001000602-A1 | SUBSTITUTED UREAS | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |
| EP-0998468-A1 | SUBSTITUTED 3-PHENYL ISOXAZOLINES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-10 | — | — | EP | disclosed |
| WO-1999005130-A1 | SUBSTITUTED 3-PHENYL ISOXAZOLINES | BASF AKTIENGESELLSCHAFT (DE) | 1999-02-04 | — | — | WO | disclosed |
| US-5665746-A | BACTERICIDE | HOFFMANN-LA ROCHE INC. (US) | 1997-09-09 | — | — | US | disclosed |
| US-5637771-A | Compound useful for lowering cholesterol | HOFFMANN-LA ROCHE INC. (US) | 1997-06-10 | — | — | US | disclosed |
| US-5594135-A | BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 1997-01-14 | — | — | US | disclosed |
| US-5589473-A | BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 1996-12-31 | — | — | US | disclosed |
| EP-0675122-A2 | Mono or bicyclic DNA gyrase inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1995-10-04 | — | — | EP | disclosed |
| WO-1993015122-A1 | MEDICAL GRADE ADHESIVES AND THEIR PREPARATION | THE UNIVERSITY OF AKRON (US) | 1993-08-05 | — | — | WO | disclosed |
| US-5175246-A | Reacting aliphatic diamines with diepoxide | UNIVERSITY OF AKRON, THE (US) | 1992-12-29 | — | — | US | disclosed |