⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8177764 | 1.00 | — | — | |
| SCHEMBL303986 | 1.00 | — | — | |
| SCHEMBL8177763 | 1.00 | — | — | |
| SCHEMBL2368532 | 1.00 | — | — | |
| SCHEMBL2368740 | 1.00 | — | — | |
| SCHEMBL25981810 | 1.00 | — | — | |
| SCHEMBL15656185 | 0.97 | SLC18A3 (0.38) | — | |
| Methane SCHEMBL27652440 | 0.97 | SLC18A3 (0.38) | — | |
| SCHEMBL27867931 | 0.97 | SLC18A3 (0.38) | — | |
| Methane SCHEMBL27507907 | 0.97 | SLC18A3 (0.38) | — |
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-9708273-B2 | Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2017-07-18 | — | — | US | disclosed |
| WO-2015035412-A1 | CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2015-03-12 | — | — | WO | disclosed |