⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL295489 | 0.97 | — | — | |
| SCHEMBL6423373 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL897200 | 0.93 | — | — | |
| SCHEMBL28462287 | 0.93 | — | — | |
| Methane SCHEMBL29270058 | 0.93 | — | — | |
| SCHEMBL28835879 | 0.93 | — | — | |
| SCHEMBL1654597 | 0.90 | TDP1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL28628360 | 0.90 | TDP1 (0.42) | — | |
| SCHEMBL13990700 | 0.90 | — | — | |
| Hypochlorous Acid SCHEMBL22265130 | 0.88 | TDP1 (0.40) | — |
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 |