⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL3131654 | 1.00 | ALDH1A1 (0.75) | — | |
| Piperidine SCHEMBL28192599 | 0.96 | ALDH1A1 (0.69) | — | |
| Piperidine SCHEMBL28822666 | 0.96 | — | — | |
| Pyrrolidine SCHEMBL27804270 | 0.96 | ALDH1A1 (0.67) | — | |
| Pyrrolidine SCHEMBL11882125 | 0.96 | — | — | |
| Piperidine SCHEMBL11714957 | 0.87 | — | — | |
| Piperidine SCHEMBL10008663 | 0.87 | ALDH1A1 (0.82) | — | |
| Piperidine SCHEMBL5811153 | 0.87 | — | — | |
| Azetidine SCHEMBL790780 | 0.87 | — | — | |
| Azetidine SCHEMBL27529230 | 0.87 | CXCR4 (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10975037-B2 | Phenyl substituted pyrazoles as modulators of RORγt | JANSSEN PHARMACEUTICA NV (BE) | 2021-04-13 | — | — | US | disclosed |
| CN-112566901-A | Phenyl-substituted pyrazoles as modulators of ROR γ t | 詹森药业有限公司 | 2021-03-26 | — | — | CN | disclosed |
| EP-3790865-A1 | PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT | Janssen Pharmaceutica NV (BE) | 2021-03-17 | — | — | EP | disclosed |
| WO-2019243999-A1 | PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT | JANSSEN PHARMACEUTICA NV (BE) | 2019-12-26 | — | — | WO | disclosed |
| CN-102898400-B | GPR119 agonist and application thereof | BEIJING HANMEI PHARMACEUTICAL CO LTD | 2015-04-29 | — | — | CN | disclosed |
| CN-102898400-A | GPR119 agonist and application thereof | BEIJING HANMEI PHARMACEUTICAL CO LTD | 2013-01-30 | — | — | CN | disclosed |
| WO-2012087938-A1 | QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-06-28 | — | — | WO | disclosed |
| CN-1391563-A | Therapeutic quinazoline derivatives | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | CN | disclosed |