⚠ 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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL27902533 | 0.86 | MEN1 (0.33) | — | |
| Bromide SCHEMBL28957995 | 0.81 | GALR3 (0.40) | — | |
| Hydrochloric Acid SCHEMBL29033932 | 0.81 | CYP3A4 (0.38) | — | |
| SCHEMBL4252733 | 0.77 | — | — | |
| SCHEMBL4580388 | 0.77 | — | — | |
| Urea SCHEMBL29033933 | 0.76 | CHRM5 (0.33) | — | |
| SCHEMBL1763566 | 0.75 | — | — | |
| SCHEMBL741281 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL30668518 | 0.74 | BBOX1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL516449 | 0.74 | CYP3A4 (0.48) | — |
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-5607960-A | Indole derivatives as 5-HT1-like agonists for use in migraine | PFIZER INC. (US) | 1997-03-04 | — | — | US | disclosed |
| EP-0695301-A1 | INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE | PFIZER LTD (GB) | 1996-02-07 | — | — | EP | disclosed |
| US-4444749-A | Cosmetic compositions for the hair | L'OREAL (FR) | 1984-04-24 | — | — | US | disclosed |
| US-4032645-A | FOR SYSTEMIC TREATMENT OF ANAEROBIC INFECTIONS | G. D. SEARLE & CO. (US) | 1977-06-28 | — | — | US | disclosed |