⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9817408 | 0.73 | — | — | |
| SCHEMBL25823159 | 0.71 | LMNA (0.32) | — | |
| SCHEMBL998407 | 0.67 | — | — | |
| SCHEMBL332719 | 0.63 | TSHR (0.38) | — | |
| SCHEMBL26351459 | 0.63 | — | — | |
| SCHEMBL2471063 | 0.63 | — | — | |
| SCHEMBL17934610 | 0.63 | — | — | |
| SCHEMBL6358676 | 0.63 | ALDH1A1 (0.31) | — | |
| SCHEMBL7633516 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL8966897 | 0.61 | TSHR (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4870212-A | ALKYL BORATE AND ORGANOLITHIUM | ALDRICH-BORANES, INC. (US) | 1989-09-26 | — | — | US | disclosed |
| US-4870177-A | PYROLYSIS OF LITHIUM ORGANYLBORATES | ALDRICH-BORANES, INC. (US) | 1989-09-26 | — | — | US | disclosed |
| US-4868337-A | Optically active borinic esters and ketones | ALDRICH-BORANES, INC. (US) | 1989-09-19 | — | — | US | disclosed |
| US-4855506-A | Process for lithium mono- and diorganylborohydrides | ALDRICH-BORANES, INC. (US) | 1989-08-08 | — | — | US | disclosed |
| US-4795821-A | Optically active borinic esters and ketones | ALDRICH-BORANES, INC. (US) | 1989-01-03 | — | — | US | disclosed |
| US-4772751-A | EASILY SEPARATED FROM BY-PRODUCTS | ALDRICH-BORANES, INC. (US) | 1988-09-20 | — | — | US | disclosed |