⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL129535 | 0.68 | — | — | |
| SCHEMBL4330924 | 0.68 | — | — | |
| SCHEMBL17522908 | 0.56 | — | — | |
| Propyne SCHEMBL29747973 | 0.56 | — | — | |
| Cyclohexane SCHEMBL5963547 | 0.56 | — | — | |
| SCHEMBL8987212 | 0.54 | — | — | |
| Ethyne SCHEMBL18558 | 0.50 | — | — | |
| Ethyne SCHEMBL429 | 0.47 | — | — | |
| Hydrazine SCHEMBL2350819 | 0.45 | — | — | |
| Ethyne SCHEMBL3430995 | 0.45 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9260755-B2 | Compositions and methods for characterizing and treating muscular dystrophy | UNIVERSITY OF MASSACHUSETTS (US) | 2016-02-16 | — | — | US | disclosed |
| US-20120077694-A1 | TARGETS IN BREAST CANCER FOR PROGNOSIS OR THERAPY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-03-29 | — | — | US | disclosed |
| US-20090215036-A1 | Genetic Alterations Useful For The Response Prediction of Malignant Neoplasia to Taxane-Based Medical Treatments | BAYER HEALTHCARE AG (DE) | 2009-08-27 | — | — | US | disclosed |
| US-20090203051-A1 | TARGETS IN BREAST CANCER FOR PROGNOSIS OR THERAPY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-08-13 | — | — | US | disclosed |