⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL892176 | 1.00 | — | — | |
| SCHEMBL18860351 | 1.00 | — | — | |
| Water SCHEMBL5684260 | 0.85 | TRPA1 (0.30) | — | |
| SCHEMBL12197478 | 0.83 | — | — | |
| SCHEMBL723502 | 0.83 | — | — | |
| SCHEMBL6058346 | 0.83 | — | — | |
| SCHEMBL845432 | 0.82 | LPAR2 (0.33) | — | |
| SCHEMBL7942945 | 0.81 | LPAR1 (0.34) | — | |
| SCHEMBL7942943 | 0.81 | LPAR1 (0.34) | — | |
| SCHEMBL10416346 | 0.81 | CA1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150087609-A1 | CYTOTOXIC-DRUG DELIVERING MOLECULES TARGETING HIV (CDM-HS), CYTOTOXIC ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS AND METHODS OF USE | YALE UNIVERSITY | 2015-03-26 | — | — | US | disclosed |