⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28654600 | 0.77 | — | — | |
| SCHEMBL74883 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL30499369 | 0.58 | — | — | |
| SCHEMBL28226422 | 0.56 | — | — | |
| SCHEMBL2983960 | 0.55 | — | — | |
| SCHEMBL30965228 | 0.53 | TSHR (0.33) | — | |
| SCHEMBL20586297 | 0.52 | TSHR (0.44) | — | |
| Isobutane SCHEMBL28312130 | 0.49 | TSHR (0.73) | — | |
| SCHEMBL7697955 | 0.49 | GABRA1 (0.48) | — | |
| SCHEMBL208989 | 0.49 | TSHR (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6677419-B1 | REACTING STOICHIOMETRIC EXCESS OF UNSATURATED ALICYCLIC MONOMER WITH ANOTHER UNSATURATED MONOMER, HAVING LESS THAN TWO ELECTRON-WITHDRAWING GROUPS APPENDED TO UNSATURATION, IN PRESENCE OF FREE RADICAL INITIATOR | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2004-01-13 | — | — | US | disclosed |
| US-6153698-A | ADDITION OF SILICONE POWDER IMPROVES IMPACT RESISTANCE AND SLIDING PROPERTIES, PARTICULARLY ITS PERMANENCE DURING SLIDING | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2000-11-28 | — | — | US | disclosed |