⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12339113 | 0.88 | TSHR (0.32) | — | |
| SCHEMBL8482034 | 0.80 | — | — | |
| SCHEMBL20145949 | 0.78 | — | — | |
| SCHEMBL18132831 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL1700716 | 0.74 | POLB (0.32) | — | |
| SCHEMBL1700714 | 0.74 | POLB (0.32) | — | |
| SCHEMBL13986387 | 0.74 | — | — | |
| SCHEMBL673097 | 0.73 | GAA (0.35) | — | |
| SCHEMBL85014 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL431250 | 0.73 | POLB (0.30) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0439745-B1 | Process for the preparation of 2-chloro-5-methyl-pyridine | BAYER AG (DE) | 1994-08-03 | — | — | EP | claimed |
| US-5103011-A | PREPARATION OF 2-CHLORO-5- METHYL-PYRIDINE | BAYER AKTIENGESELLSCHAFT (DE) | 1992-04-07 | — | — | US | claimed |
| EP-0439745-A2 | Process for the preparation of 2-chloro-5-methyl-pyridine | BAYER AG (DE) | 1991-08-07 | — | — | EP | claimed |
| WO-2023212091-A1 | NOVEL KETONE ESTER COMPOUNDS | BUCK INSTITUTE FOR RESEARCH ON AGING (US) | 2023-11-02 | — | — | WO | disclosed |
| WO-2019143650-A1 | 3-PHENYL-3H-1-BENZOFURAN-2-ONE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME | MILLIKEN & COMPANY (US) | 2019-07-25 | — | — | WO | disclosed |
| EP-2789606-B1 | Modulators of CFTR | VERTEX PHARMA (US) | 2017-11-15 | — | — | EP | disclosed |
| WO-2017165489-A1 | ANTIVIRAL AGENTS FOR TREATING ZIKA AND DENGUE VIRUS INFECTIONS | EMORY UNIVERSITY (US) | 2017-09-28 | — | — | WO | disclosed |
| EP-2741731-B1 | ENCAPSULATES | PROCTER & GAMBLE (US) | 2017-05-17 | — | — | EP | disclosed |
| WO-2017075477-A1 | COMPOSITIONS AND METHODS FOR ACTIVATING \"STIMULATOR OF INTERFERON GENE\"-DEPENDENT SIGNALLING | Aduro Biotech, Inc. (US) | 2017-05-04 | — | — | WO | disclosed |
| WO-2011084848-A2 | PRODRUGS OF HETERAROMATIC COMPOUNDS | ALKERMES, INC. (US) | 2011-07-14 | — | — | WO | disclosed |
| EP-0439745-B1 | Process for the preparation of 2-chloro-5-methyl-pyridine | BAYER AG (DE) | 1994-08-03 | — | — | EP | disclosed |
| US-5103011-A | PREPARATION OF 2-CHLORO-5- METHYL-PYRIDINE | BAYER AKTIENGESELLSCHAFT (DE) | 1992-04-07 | — | — | US | disclosed |
| EP-0439745-A2 | Process for the preparation of 2-chloro-5-methyl-pyridine | BAYER AG (DE) | 1991-08-07 | — | — | EP | disclosed |