⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26129174 | 0.84 | — | — | |
| SCHEMBL31526359 | 0.71 | — | — | |
| SCHEMBL785508 | 0.67 | CTRB1 (0.34) | — | |
| SCHEMBL1702925 | 0.67 | — | — | |
| SCHEMBL2014272 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL6661621 | 0.63 | — | — | |
| SCHEMBL527137 | 0.63 | — | — | |
| SCHEMBL9786538 | 0.62 | CYP19A1 (0.43) | — | |
| SCHEMBL12465547 | 0.62 | — | — | |
| SCHEMBL29147265 | 0.62 | — | — |
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-4211791-A | Indanediones | BEECHAM GROUP LIMITED (GB) | 1980-07-08 | — | — | US | disclosed |
| US-4207335-A | ANTIALLERGENS | BEECHAM GROUP LIMITED (GB) | 1980-06-10 | — | — | US | disclosed |
| US-4200577-A | ANTIALLERGENS, ANTIHISTAMINES | BEECHAM GROUP LIMITED (GB) | 1980-04-29 | — | — | US | disclosed |
| US-4136192-A | ANTIALLERGENS | BEECHAM GROUP LIMITED (GB) | 1979-01-23 | — | — | US | disclosed |