⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6076883 | 0.95 | CYP1A2 (0.52) | — | |
| SCHEMBL11157147 | 0.93 | CYP1A2 (0.56) | — | |
| Ammonia Solution, Strong SCHEMBL7862370 | 0.91 | CYP1A2 (0.54) | — | |
| SCHEMBL3947140 | 0.90 | — | — | |
| SCHEMBL382926 | 0.88 | CYP1A2 (0.50) | — | |
| SCHEMBL30203249 | 0.86 | SIGMAR1 (0.50) | — | |
| SCHEMBL18414169 | 0.86 | SIGMAR1 (0.50) | — | |
| SCHEMBL13313166 | 0.86 | CYP1A2 (0.54) | — | |
| SCHEMBL3020079 | 0.84 | — | — | |
| SCHEMBL24443393 | 0.84 | CYP1A2 (0.46) | — |
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-7045529-B2 | Imidazopyrimidinyl and imidazopyri dinyl derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-05-16 | — | — | US | claimed |
| US-20040229887-A1 | Novel imidazopyrimidinyl and imidazopyri dinyl derivatives | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-11-18 | — | — | US | claimed |
| EP-2970146-A1 | ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-01-20 | — | — | EP | disclosed |
| US-20150045357-A1 | SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2015-02-12 | — | — | US | disclosed |
| WO-2014140246-A1 | ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR | AbbVie Deutschland GmbH & Co. KG (DE) | 2014-09-18 | — | — | WO | disclosed |
| US-7045529-B2 | Imidazopyrimidinyl and imidazopyri dinyl derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-05-16 | — | — | US | disclosed |
| US-20040229887-A1 | Novel imidazopyrimidinyl and imidazopyri dinyl derivatives | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-11-18 | — | — | US | disclosed |