⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25159563 | 1.00 | — | — | |
| SCHEMBL14770821 | 1.00 | — | — | |
| SCHEMBL24719182 | 0.82 | OPRM1 (0.48) | — | |
| SCHEMBL23096741 | 0.80 | OPRM1 (0.46) | — | |
| SCHEMBL20635682 | 0.80 | OPRM1 (0.46) | — | |
| SCHEMBL277010 | 0.77 | TSHR (0.55) | — | |
| SCHEMBL26256689 | 0.77 | — | — | |
| SCHEMBL17302478 | 0.77 | — | — | |
| SCHEMBL14770812 | 0.77 | — | — | |
| SCHEMBL13257086 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021055627-A1 | SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS | BIAL- BIOTECH INVESTMENTS, INC. (US) | 2021-03-25 | — | — | WO | disclosed |
| CN-110678500-A | Photo-or thermosetting method and curable resin composition | 富士胶片和光纯药株式会社 | 2020-01-10 | — | — | CN | disclosed |
| EP-3473247-A1 | COMPOSITION FOR ORAL DELIVERY COMPRISING MGBG FOR USE IN TREATING MULTIPLE SCLEROSIS | Pathologica LLC (US) | 2019-04-24 | — | — | EP | disclosed |
| CN-103304356-B | The synthetic method of azanol | BEIJING LAVIANA PHARMATECH CO., LTD. (CN) | 2016-01-20 | — | — | CN | disclosed |
| CN-103304356-A | Hydroxylamine synthesis method | BEIJING LAVIANA PHARMATECH CO LTD | 2013-09-18 | — | — | CN | disclosed |