⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2503689 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL31430896 | 0.94 | TDP1 (0.33) | — | |
| SCHEMBL15120497 | 0.78 | THRB (0.35) | — | |
| SCHEMBL7337030 | 0.78 | PIK3CD (0.35) | — | |
| SCHEMBL2966877 | 0.73 | — | — | |
| SCHEMBL452326 | 0.73 | — | — | |
| SCHEMBL16317655 | 0.73 | CA12 (0.48) | — | |
| SCHEMBL2025380 | 0.71 | HTR2A (0.31) | — | |
| SCHEMBL9776175 | 0.71 | HTR2A (0.31) | — | |
| SCHEMBL2025382 | 0.71 | HTR2A (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180244698-A1 | AMINE-BORANES BEARING BORANE-INTOLERANT FUNCTIONALITIES | PURDUE RESEARCH FOUNDATION (US) | 2018-08-30 | — | — | US | disclosed |
| US-9988402-B2 | Amine-boranes bearing borane-intolerant functionalities | PURDUE RESEARCH FOUNDATION (US) | 2018-06-05 | — | — | US | disclosed |
| US-20180076403-A1 | AMINE-BORANES AS ORGANIC LIGANDS FOR SURFACE FUNCTIONALIZATION | PURDUE RESEARCH FOUNDATION (US) | 2018-03-15 | — | — | US | disclosed |
| US-20180051040-A1 | AMINE-BORANES BEARING BORANE-INTOLERANT FUNCTIONALITIES | PURDUE RESEARCH FOUNDATION (US) | 2018-02-22 | — | — | US | disclosed |