⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11077359 | 0.98 | — | — | |
| SCHEMBL11085639 | 0.82 | HTR1A (0.64) | — | |
| SCHEMBL11081338 | 0.81 | HTR1A (0.63) | — | |
| Water SCHEMBL11080759 | 0.80 | HTR1A (0.62) | — | |
| Hydrochloric Acid SCHEMBL11077497 | 0.80 | HTR1A (0.62) | — | |
| SCHEMBL11073899 | 0.79 | DRD2 (0.56) | — | |
| SCHEMBL15064324 | 0.78 | HTR1A (0.61) | — | |
| Water SCHEMBL11086722 | 0.78 | DRD2 (0.55) | — | |
| Hydrochloric Acid SCHEMBL9378281 | 0.77 | HTR1A (0.60) | — | |
| SCHEMBL15064163 | 0.76 | HTR1A (0.59) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4452799-A | NEUROLEPTIC AGENTS | MEAD JOHNSON & COMPANY (US) | 1984-06-05 | — | — | US | claimed |
| US-4452799-A | NEUROLEPTIC AGENTS | MEAD JOHNSON & COMPANY (US) | 1984-06-05 | — | — | US | disclosed |
| US-4411901-A | ANTIPSYCHOTICS | MEAD JOHNSON & COMPANY (US) | 1983-10-25 | — | — | US | disclosed |