⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9568927 | 0.82 | TSHR (0.72) | — | |
| Isoguvacine SCHEMBL339700 | 0.80 | — | — | |
| Isoguvacine SCHEMBL7958625 | 0.78 | BLM (1.00) | — | |
| Isoguvacine SCHEMBL6214170 | 0.78 | TSHR (0.96) | — | |
| SCHEMBL2032868 | 0.78 | — | — | |
| SCHEMBL23178983 | 0.78 | TSHR (0.60) | — | |
| SCHEMBL3019512 | 0.78 | TSHR (0.60) | — | |
| SCHEMBL15319901 | 0.78 | TSHR (0.60) | — | |
| SCHEMBL20334690 | 0.78 | TSHR (0.60) | — | |
| SCHEMBL20314991 | 0.78 | TSHR (0.60) | — |
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-0271798-B1 | O-SUBSTITUTED TETRAHYDROPYRIDINE OXIME CHOLINERGIC AGENTS | WARNER-LAMBERT COMPANY (US) | 1993-04-07 | — | — | EP | claimed |
| US-4786648-A | ANALGESIC | WARNER-LAMBERT COMPANY (US) | 1988-11-22 | — | — | US | claimed |
| EP-0271798-A2 | O-Substituted tetrahydropyridine oxime cholinergic agents | WARNER-LAMBERT COMPANY (US) | 1988-06-22 | — | — | EP | claimed |
| US-20220119409-A1 | TRICYCLIC PYRIDONES AND PYRIMIDONES | ERASCA, INC. | 2022-04-21 | — | — | US | disclosed |
| US-20200055845-A1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC. | 2020-02-20 | — | — | US | disclosed |
| WO-2018119183-A2 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC. (US) | 2018-06-28 | — | — | WO | disclosed |
| US-20090156572-A1 | Nitrogen-containing heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-06-18 | — | — | US | disclosed |
| US-20090156572-A1 | Nitrogen-containing heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-06-18 | — | — | US | disclosed |
| WO-2009072643-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-11 | — | — | WO | disclosed |
| EP-0271798-B1 | O-SUBSTITUTED TETRAHYDROPYRIDINE OXIME CHOLINERGIC AGENTS | WARNER-LAMBERT COMPANY (US) | 1993-04-07 | — | — | EP | disclosed |
| US-4786648-A | ANALGESIC | WARNER-LAMBERT COMPANY (US) | 1988-11-22 | — | — | US | disclosed |
| EP-0271798-A2 | O-Substituted tetrahydropyridine oxime cholinergic agents | WARNER-LAMBERT COMPANY (US) | 1988-06-22 | — | — | EP | disclosed |
| US-4710508-A | ANALGESICS | WARNER-LAMBERT COMPANY (US) | 1987-12-01 | — | — | US | disclosed |