⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9052165 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL11748803 | 0.75 | — | — | |
| SCHEMBL56626 | 0.75 | — | — | |
| SCHEMBL8534853 | 0.75 | — | — | |
| SCHEMBL18996697 | 0.75 | — | — | |
| SCHEMBL14715454 | 0.74 | — | — | |
| SCHEMBL13284467 | 0.74 | — | — | |
| SCHEMBL14715453 | 0.74 | — | — | |
| SCHEMBL16712427 | 0.73 | — | — | |
| SCHEMBL633249 | 0.73 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1210383-C | Gasoline composition | SHELL INT RESEARCH (NL) | 2005-07-13 | — | — | CN | disclosed |
| CN-1449433-A | Gasoline composition | SHELL INT RESEARCH (NL) | 2003-10-15 | — | — | CN | disclosed |
| US-4180525-A | OLIGOMERIZING OLEFINS | PHILLIPS PETROLEUM COMPANY (US) | 1979-12-25 | — | — | US | disclosed |
| US-4176086-A | ANHYDROUS NICKEL COMPLEX FROM A HYDRATE OF A NICKEL COMPOUND AND AN ORGANIC COMPLEXING AGENT, AZEOTROPIC DISTILLATION | PHILLIPS PETROLEUM COMPANY (US) | 1979-11-27 | — | — | US | disclosed |
| US-4145358-A | PREPARATION OF ORGANOPHOSPHORUS NICKEL COMPLEXES | PHILLIPS PETROLEUM COMPANY (US) | 1979-03-20 | — | — | US | disclosed |
| US-4144259-A | Organophosphorus nickel complexes and use thereof | PHILLIPS PETROLEUM COMPANY (US) | 1979-03-13 | — | — | US | disclosed |
| US-4123447-A | REACTING (1,5-CYCLOOCTADIENE)BIS(TRIETHYLPHOSPHINE)-NICKEL(O) WITH AN ACYL HALIDE, OLIGOMERIZATION CATALYSTS | PHILLIPS PETROLEUM COMPANY (US) | 1978-10-31 | — | — | US | disclosed |
| US-4120907-A | Bis(μ-diphenylphosphido)tris(triethylphosphine)dinickel oligomerization of 1,3 butadiene | PHILLIPS PETROLEUM COMPANY (US) | 1978-10-17 | — | — | US | disclosed |
| US-4118408-A | Organophosphorus nickel complexes and preparation thereof | PHILLIPS PETROLEUM COMPANY (US) | 1978-10-03 | — | — | US | disclosed |
| US-4115470-A | Organophosphorus nickel complexes and use thereof | PHILLIPS PETROLEUM COMPANY (US) | 1978-09-19 | — | — | US | disclosed |
| US-4111972-A | Organophosphorus nickel complexes and use thereof | PHILLIPS PETROLEUM COMPANY (US) | 1978-09-05 | — | — | US | disclosed |