⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2376870 | 0.83 | — | — | |
| SCHEMBL533350 | 0.83 | — | — | |
| Phosphoric Acid SCHEMBL2580447 | 0.79 | LAP3 (0.39) | — | |
| SCHEMBL6728630 | 0.72 | — | — | |
| SCHEMBL5144163 | 0.72 | — | — | |
| SCHEMBL8386896 | 0.72 | — | — | |
| SCHEMBL15310039 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL15309950 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL17260751 | 0.70 | — | — | |
| SCHEMBL1962382 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040198803-A1 | Such as 5-(methoxycarbonylamino)-N - acetyltryptamine; therapy for ocular hypertension; vision defects | PINTOR JESUS J (ES) | 2004-10-07 | — | — | US | disclosed |
| US-6730707-B2 | SUCH AS 5-(METHOXYCARBONYLAMINO)-N-ACETYLTRYPTAMINE; TREATING OCULAR HYPERTENSION, VARIOUS FORMS OF GLAUCOMA | INSPIRE PHARMACEUTICALS, INC. | 2004-05-04 | — | — | US | disclosed |
| US-20020037887-A1 | Method for reducing intraocular pressure using indole derivatives | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 2002-03-28 | — | — | US | disclosed |
| US-5696124-A | Xanthine derivatives with adenosine-antagonistic activity | BOEHRINGER INGELHEIM KG (DE) | 1997-12-09 | — | — | US | disclosed |
| US-5688802-A | TREATMENT OF ALZHEIMER'S DISEASE, ORGANIC BRAIN SYNDROME, PARKINSON'S DISEASE, SENILE DEMENTIA | BOEHRINGER INGELHEIM KG | 1997-11-18 | — | — | US | disclosed |
| US-5532368-A | CHOLINOMIMETIC AGENTS; ALZHEIMER*S DISEASE; CENTRAL NERVOUS SYSTEM DISORDERS | BOEHRINGER INGELHEIM GMBH (DE) | 1996-07-02 | — | — | US | disclosed |
| US-5175291-A | Reaction of 1,4-dioxaspiro 4,4!nonan-7-carboxylic acid with carbonyldiimidazole with 5,6-diamino-1,3-dipropyluracil in the presence of calcium hydroxide and hydroxylating | BOEHRINGER INGELHEIM KG (DE) | 1992-12-29 | — | — | US | disclosed |