⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL464999 | 0.75 | — | — | |
| SCHEMBL1863589 | 0.75 | — | — | |
| SCHEMBL319529 | 0.73 | — | — | |
| SCHEMBL10203446 | 0.73 | — | — | |
| SCHEMBL7909495 | 0.73 | — | — | |
| SCHEMBL6758325 | 0.73 | — | — | |
| SCHEMBL20327556 | 0.73 | — | — | |
| SCHEMBL499143 | 0.73 | — | — | |
| SCHEMBL774748 | 0.73 | — | — | |
| SCHEMBL5932187 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4113777-A | ANTISECRETORY, ANTITUSSIVE, ANTIULCER | BOEHRINGER INGELHEIM GMBH (DE) | 1978-09-12 | — | — | US | disclosed |
| US-4073942-A | Halo-substituted hydroxybenzyl-amines as secretolytic agents | BOEHRINGER INGELHEIM GMBH (DT) | 1978-02-14 | — | — | US | disclosed |
| US-3959309-A | ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE | STERLING DRUG INC. (US) | 1976-05-25 | — | — | US | disclosed |