⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL805491 | 0.79 | — | — | |
| SCHEMBL30481675 | 0.79 | — | — | |
| SCHEMBL7995607 | 0.77 | — | — | |
| SCHEMBL12153420 | 0.77 | — | — | |
| SCHEMBL2751433 | 0.77 | — | — | |
| SCHEMBL29525661 | 0.77 | — | — | |
| SCHEMBL6627227 | 0.77 | — | — | |
| SCHEMBL805512 | 0.76 | KDM4E (0.42) | — | |
| Hydrochloric Acid SCHEMBL14759411 | 0.76 | LOXL2 (0.35) | — | |
| SCHEMBL15867642 | 0.74 | NOS3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230192607-A1 | TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2023-06-22 | — | — | US | disclosed |
| US-20100222352-A1 | Compounds and Methods for the Treatment of Viruses and Cancer | YALE UNIVERSITY (US) | 2010-09-02 | — | — | US | disclosed |