⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5730671 | 0.83 | — | — | |
| SCHEMBL30492655 | 0.81 | NOS3 (0.38) | — | |
| SCHEMBL22910734 | 0.78 | — | — | |
| SCHEMBL22341177 | 0.77 | NOS3 (0.35) | — | |
| Methylcyclopentane SCHEMBL23671438 | 0.76 | CA1 (0.44) | — | |
| SCHEMBL18597825 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL20203671 | 0.72 | — | — | |
| SCHEMBL3139956 | 0.70 | — | — | |
| SCHEMBL1402674 | 0.70 | — | — | |
| SCHEMBL13757781 | 0.70 | CHRM2 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022059684-A1 | VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN | 帝人ファーマ株式会社 | 2022-03-24 | — | — | WO | disclosed |
| EP-0349195-B1 | Direct synthesis by cationic polymerization of nitrogen-containing polymers | EXXON CHEMICAL PATENTS INC (US) | 1997-05-21 | — | — | EP | disclosed |
| US-5629394-A | ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED | EXXON CHEMICAL PATENTS INC (US) | 1997-05-13 | — | — | US | disclosed |
| US-5444135-A | Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously | EXXON CHEMICAL PATENTS INC. (US) | 1995-08-22 | — | — | US | disclosed |
| US-5336745-A | Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators | EXXON CHEMICAL PATENTS INC. (US) | 1994-08-09 | — | — | US | disclosed |
| US-5032653-A | Catalysts | EXXON CHEMICAL PATENTS, INC. (US) | 1991-07-16 | — | — | US | disclosed |
| EP-0349195-A2 | Direct synthesis by cationic polymerization of nitrogen-containing polymers | EXXON CHEMICAL PATENTS INC. (US) | 1990-01-03 | — | — | EP | disclosed |
| EP-0043041-B1 | PROCESS FOR PREPARING HIGH-VISCOSITY POLYCHLOROPRENE AND USE THEREOF AS RAW MATERIAL IN ADHESIVES | BAYER AG (DE) | 1984-05-23 | — | — | EP | disclosed |
| US-3946081-A | OXIDATION CATALYSTS, GROUP V, VI, OR VII OXIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-23 | — | — | US | disclosed |