⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11546173 | 0.83 | — | — | |
| SCHEMBL5170505 | 0.80 | — | — | |
| SCHEMBL5170496 | 0.80 | — | — | |
| SCHEMBL2986883 | 0.79 | PTPN7 (0.42) | — | |
| SCHEMBL9364190 | 0.76 | — | — | |
| SCHEMBL2990615 | 0.76 | ADRB2 (0.36) | — | |
| SCHEMBL11546673 | 0.75 | — | — | |
| SCHEMBL3109975 | 0.75 | — | — | |
| SCHEMBL4930407 | 0.74 | — | — | |
| SCHEMBL17531853 | 0.74 | — | — |
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-4179561-A | REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE | E. R. SQUIBB & SONS, INC. (US) | 1979-12-18 | — | — | US | disclosed |
| US-4112096-A | ANTIALLERGENS | E. R. SQUIBB & SONS, INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4076818-A | ANTIALLERGENS | E. R. SQUIBB & SONS, INC. (US) | 1978-02-28 | — | — | US | disclosed |