⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5278040 | 0.79 | KCNJ1 (0.36) | — | |
| SCHEMBL4502875 | 0.77 | — | — | |
| SCHEMBL707611 | 0.75 | — | — | |
| SCHEMBL8401872 | 0.73 | KCNJ1 (0.41) | — | |
| SCHEMBL8399476 | 0.71 | — | — | |
| SCHEMBL29110810 | 0.70 | — | — | |
| SCHEMBL12414532 | 0.70 | KCNJ1 (0.35) | — | |
| SCHEMBL28411403 | 0.69 | KCNJ1 (0.34) | — | |
| SCHEMBL3731613 | 0.65 | — | — | |
| SCHEMBL5275474 | 0.63 | KCNJ1 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0698014-B1 | 3-PHENYLUREIDO-1,5-BENZODIAZEPINE-DIONES USEFUL AS GASTRIN OR CCK ANTAGONISTS | GLAXO WELLCOME SPA (IT) | 1998-07-22 | — | — | EP | claimed |
| EP-0698014-B1 | 3-PHENYLUREIDO-1,5-BENZODIAZEPINE-DIONES USEFUL AS GASTRIN OR CCK ANTAGONISTS | GLAXO WELLCOME SPA (IT) | 1998-07-22 | — | — | EP | disclosed |
| US-4104389-A | Antiallergic pyrido[2,1-b]quinazolin-ones | WARNER-LAMBERT COMPANY (US) | 1978-08-01 | — | — | US | disclosed |
| US-4033961-A | ANTIALLERGENS | WARNER-LAMBERT COMPANY (US) | 1977-07-05 | — | — | US | disclosed |
| US-4012387-A | ANTIALLERGENS | WARNER-LAMBERT COMPANY (US) | 1977-03-15 | — | — | US | disclosed |