⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4074792 | 0.76 | — | — | |
| SCHEMBL20152093 | 0.74 | — | — | |
| SCHEMBL18994838 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL18791387 | 0.73 | — | — | |
| SCHEMBL14155685 | 0.72 | — | — | |
| SCHEMBL20342395 | 0.70 | — | — | |
| SCHEMBL18717280 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL11757553 | 0.66 | — | — | |
| SCHEMBL11692034 | 0.66 | — | — | |
| SCHEMBL786592 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10011573-B2 | Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2018-07-03 | — | — | US | disclosed |
| US-20170183319-A1 | HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2017-06-29 | — | — | US | disclosed |