⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL11192509 | 0.79 | MEN1 (0.46) | — | |
| SCHEMBL11111276 | 0.59 | CHEK1 (0.36) | — | |
| SCHEMBL6920480 | 0.59 | NPC1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL9740924 | 0.58 | DRD2 (0.36) | — | |
| SCHEMBL23653038 | 0.56 | ALDH1A1 (0.30) | — | |
| SCHEMBL6922867 | 0.55 | ALDH1A1 (0.54) | — | |
| SCHEMBL18365789 | 0.54 | RIPK1 (0.34) | — | |
| SCHEMBL6922778 | 0.54 | MAPT (0.45) | — | |
| Benzene SCHEMBL11051407 | 0.53 | KDM4E (0.61) | — | |
| SCHEMBL24360739 | 0.52 | HTR3A (0.41) | — |
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-4472399-A | Indolo[2',3';3,4]pyrido[2,1-b]quinazoline-5-ones, a process for the preparation thereof, and diuretic compositions and methods using them | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1984-09-18 | — | — | US | disclosed |
| US-4395549-A | CHEMICAL INTERMEDIATES FOR RUTECARPINE DIURETICS | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1983-07-26 | — | — | US | disclosed |