⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3483112 | 0.80 | — | — | |
| SCHEMBL2393998 | 0.74 | GPR3 (0.39) | — | |
| SCHEMBL15516037 | 0.72 | — | — | |
| SCHEMBL3483195 | 0.72 | GPR35 (0.50) | — | |
| SCHEMBL3483532 | 0.68 | CYP2A6 (0.46) | — | |
| SCHEMBL27416204 | 0.68 | IDO1 (0.42) | — | |
| SCHEMBL3817449 | 0.68 | — | — | |
| SCHEMBL1334400 | 0.67 | GPR3 (0.39) | — | |
| SCHEMBL3487675 | 0.66 | ALDH1A1 (0.46) | — | |
| SCHEMBL3483267 | 0.66 | CYP1A2 (0.31) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2702052-B1 | 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2017-10-18 | — | — | EP | claimed |
| US-9029399-B2 | 17α-hydroxylase/C17,20-lyase inhibitors | NOVARTIS AG (CH) | 2015-05-12 | — | — | US | claimed |
| US-20140228386-A1 | 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2014-08-14 | — | — | US | claimed |
| EP-2702052-A1 | 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS | Novartis AG (CH) | 2014-03-05 | — | — | EP | claimed |
| WO-2012149413-A1 | 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2012-11-01 | — | — | WO | claimed |
| EP-2702052-B1 | 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2017-10-18 | — | — | EP | disclosed |
| US-9339501-B2 | 17a-hydroxylase/C17,20-lyase inhibitors | NOVARTIS AG (CH) | 2016-05-17 | — | — | US | disclosed |
| US-20150209356-A1 | 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2015-07-30 | — | — | US | disclosed |
| US-9029399-B2 | 17α-hydroxylase/C17,20-lyase inhibitors | NOVARTIS AG (CH) | 2015-05-12 | — | — | US | disclosed |
| US-20140228386-A1 | 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2014-08-14 | — | — | US | disclosed |
| EP-2702052-A1 | 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS | Novartis AG (CH) | 2014-03-05 | — | — | EP | disclosed |
| WO-2012149413-A1 | 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2012-11-01 | — | — | WO | disclosed |