⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1070929 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL2637991 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL9086148 | 0.80 | — | — | |
| SCHEMBL15187364 | 0.79 | — | — | |
| SCHEMBL10534916 | 0.79 | — | — | |
| SCHEMBL11393079 | 0.77 | HSD17B10 (0.30) | — | |
| SCHEMBL11532230 | 0.77 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL11439577 | 0.76 | — | — | |
| SCHEMBL466826 | 0.75 | — | — | |
| SCHEMBL13461953 | 0.75 | — | — |
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-5646144-A | FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT | CIBA-GEIGY CORPORATION (US) | 1997-07-08 | — | — | US | disclosed |
| US-5541195-A | SUBSTANCE P ANTAGONISTS | CIBA-GEIGY CORPORATION (US) | 1996-07-30 | — | — | US | disclosed |
| US-5310743-A | Substance P antagonist | CIBA-GEIGY CORP. (US) | 1994-05-10 | — | — | US | disclosed |