⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9375707 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL9380255 | 0.89 | — | — | |
| SCHEMBL9210151 | 0.88 | HTR1A (0.71) | — | |
| SCHEMBL9210753 | 0.86 | HTR1A (0.72) | — | |
| SCHEMBL9208667 | 0.86 | — | — | |
| SCHEMBL9202575 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL9394365 | 0.85 | HTR1A (0.70) | — | |
| SCHEMBL9209001 | 0.85 | HTR1A (0.70) | — | |
| Hydrochloric Acid SCHEMBL9389618 | 0.85 | — | — | |
| SCHEMBL9270969 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0683778-A1 | HETEROAROMATIC COMPOUNDS WITH ANTIPSYCHOTIC ACTIVITY | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-11-29 | — | — | EP | claimed |
| WO-1994018196-A1 | HETEROAROMATIC COMPOUNDS WITH ANTIPSYCHOTIC ACTIVITY | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-08-18 | — | — | WO | claimed |
| CN-1117731-A | Heteroaromatic compounds with antipsychotic activity | WELLCOME FOUND (GB) | 1996-02-28 | — | — | CN | disclosed |
| WO-1994018196-A1 | HETEROAROMATIC COMPOUNDS WITH ANTIPSYCHOTIC ACTIVITY | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-08-18 | — | — | WO | disclosed |