⚠ 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 | |
|---|---|---|---|---|
| Pyrrole SCHEMBL27535135 | 0.94 | — | — | |
| Pyrrole SCHEMBL2885785 | 0.94 | — | — | |
| Pyrrole SCHEMBL841068 | 0.94 | — | — | |
| Pyrrole SCHEMBL15757584 | 0.94 | — | — | |
| Pyrrole SCHEMBL292 | 0.94 | — | — | |
| Pyrrole SCHEMBL15801170 | 0.94 | — | — | |
| Pyrrole SCHEMBL14840876 | 0.94 | — | — | |
| Pyrrole SCHEMBL25286519 | 0.89 | — | — | |
| Pyrrole SCHEMBL173774 | 0.89 | — | — | |
| Pyrrole SCHEMBL653336 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5679701-A | INHIBITS CALCIUM UPTAKE IN CARDIAC MUSCLE; HAS NEGATIVE INOTROPIC EFFECT ON MAMMALIAN CARDIAC MUSCLE | INDIANA UNIVERSITY FOUNDATION (US) | 1997-10-21 | — | — | US | disclosed |
| US-5510500-A | RADIO-IODINATED ALANINE DERIVATIVES AS LABELS | INDIANA UNIVERSITY FOUNDATION (US) | 1996-04-23 | — | — | US | disclosed |
| CN-1062071-A | Contain the Pesticidal combination and the application thereof of new azole derivatives | ROUSSEL UCLAF (FR) | 1992-06-24 | — | — | CN | disclosed |
| CN-1015626-B | Process for preparing novel pyrrole derivatives | ROUSSEL UCLAF (FR) | 1992-02-26 | — | — | CN | disclosed |
| CN-85106411-A | Process for preparing novel pyrrole derivatives | — | 1986-10-22 | — | — | CN | disclosed |