⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2053482 | 0.82 | — | — | |
| SCHEMBL11109724 | 0.75 | TDP1 (0.33) | — | |
| SCHEMBL10367400 | 0.70 | — | — | |
| SCHEMBL19523377 | 0.69 | TDP1 (0.36) | — | |
| SCHEMBL504033 | 0.69 | — | — | |
| SCHEMBL2103164 | 0.65 | — | — | |
| SCHEMBL3298704 | 0.65 | — | — | |
| SCHEMBL1725387 | 0.65 | — | — | |
| SCHEMBL7173409 | 0.65 | — | — | |
| SCHEMBL6432124 | 0.64 | — | — |
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-4485104-A | ANTIHISTAMINES ANTIINFLAMMATORY AGENTS, ANTIALLERGENS | GLAXO GROUP LIMITED (GB) | 1984-11-27 | — | — | US | claimed |