⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL14645512 | 1.00 | — | — | |
| Nitrous Acid SCHEMBL10317865 | 1.00 | — | — | |
| Nitrous Acid SCHEMBL29104718 | 0.95 | — | — | |
| Cyclohexane SCHEMBL27857024 | 0.95 | CA1 (0.60) | — | |
| Nitrous Acid SCHEMBL30577922 | 0.82 | — | — | |
| Nitrous Acid SCHEMBL18095956 | 0.82 | CA1 (1.00) | — | |
| Nitrous Acid SCHEMBL2328305 | 0.82 | — | — | |
| Nitrous Acid SCHEMBL1057 | 0.82 | — | — | |
| Nitrous Acid SCHEMBL20212027 | 0.82 | — | — | |
| Nitrous Acid SCHEMBL10526485 | 0.82 | — | — |
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-5889031-A | CONTROLLING CIRCADIAN RHYTHMS | BRISTOL-MYERS SQUIBB COMPNAY (US) | 1999-03-30 | — | — | US | disclosed |
| US-5753709-A | N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-05-19 | — | — | US | disclosed |