⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1323848 | 0.78 | — | — | |
| SCHEMBL10434775 | 0.78 | — | — | |
| SCHEMBL6639420 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11592382 | 0.76 | NPSR1 (0.53) | — | |
| SCHEMBL10434774 | 0.76 | — | — | |
| SCHEMBL134244 | 0.76 | — | — | |
| SCHEMBL10434746 | 0.73 | FAAH (0.56) | — | |
| SCHEMBL11861278 | 0.71 | NPSR1 (0.49) | — | |
| SCHEMBL11586051 | 0.71 | ALDH1A1 (0.54) | — | |
| SCHEMBL3392525 | 0.71 | NAAA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8337941-B2 | Fluorescent substrates for monoamine transporters as optical false neurotransmitters | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-12-25 | — | — | US | disclosed |
| US-20100035279-A1 | Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-02-11 | — | — | US | disclosed |