⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7621214 | 0.95 | CYP1A2 (0.46) | — | |
| SCHEMBL20099364 | 0.93 | CYP1A2 (0.50) | — | |
| SCHEMBL1483921 | 0.93 | CYP1A2 (0.50) | — | |
| SCHEMBL5392967 | 0.90 | — | — | |
| SCHEMBL21133632 | 0.89 | SAT1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL5394488 | 0.87 | — | — | |
| SCHEMBL8392349 | 0.86 | SAT1 (0.52) | — | |
| SCHEMBL24127642 | 0.83 | CYP1A2 (0.44) | — | |
| SCHEMBL19106131 | 0.82 | SAT1 (0.36) | — | |
| SCHEMBL17208386 | 0.81 | SAT1 (0.47) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020186199-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | CALICO LIFE SCIENCES LLC (US) | 2020-09-17 | — | — | WO | disclosed |
| WO-2007038367-A1 | INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF | MEMORY PHARMACEUTICALS CORPORATION (US) | 2007-04-05 | — | — | WO | disclosed |
| US-5864043-A | CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST | KARL THOMAE GMBH (DE) | 1999-01-26 | — | — | US | disclosed |
| US-5541229-A | ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |