⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL208805 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL891027 | 0.75 | — | — | |
| SCHEMBL31733891 | 0.73 | — | — | |
| SCHEMBL3283077 | 0.73 | ALOX5 (0.45) | — | |
| SCHEMBL3279592 | 0.73 | — | — | |
| SCHEMBL18601411 | 0.73 | — | — | |
| SCHEMBL12916367 | 0.73 | — | — | |
| SCHEMBL9912431 | 0.71 | — | — | |
| SCHEMBL5264334 | 0.71 | — | — | |
| SCHEMBL13671479 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100234361-A1 | SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-16 | — | — | US | disclosed |
| US-6262040-B1 | Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) | PFIZER INC | 2001-07-17 | — | — | US | disclosed |