SCHEMBL9788880

SCHEMBL9788880

C=CCC(N)(N)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
KCNN4 O15554 3/20 0.44
TAAR1 Q96RJ0 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
KIF11 P52732 2/20 0.38
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL30434815 0.84 HTT (0.55) HTTALDH1A1TSHRKCNN4TAAR1
SCHEMBL2688608 0.82 HTT (0.53) HTTALDH1A1TSHRKCNN4TAAR1
SCHEMBL5690296 0.81 TSHR (0.55) HTTALDH1A1TSHRKCNN4TAAR1
Hydrochloric Acid SCHEMBL11764056 0.80 HTT (0.52) HTTALDH1A1TSHRKCNN4TAAR1
SCHEMBL11829886 0.78 HTT (0.55) HTTALDH1A1TSHRKCNN4TAAR1
SCHEMBL1501852 0.77 TAAR1 (0.52) HTTALDH1A1TSHRTAAR1KMT2A
SCHEMBL9593286 0.77 HTT (0.49) HTTALDH1A1TSHRKCNN4TAAR1
SCHEMBL7740564 0.76 TSHR (0.55) HTTALDH1A1TSHRKCNN4TAAR1
SCHEMBL1862170 0.76 TSHR (0.55) HTTALDH1A1TSHRKCNN4TAAR1
SCHEMBL1908316 0.75 ALDH1A1 (0.65) HTTALDH1A1TSHRKCNN4KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330095-A1 Automated preparative gas chromatograph AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-08-30 EP claimed
EP-0178583-B1 POLYURETHANE SYSTEMS USING MONOTERTIARY-ALKYLTOLUENEDIAMINE AS A CROSS LINKER AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-05-31 EP claimed
EP-0178583-A1 Polyurethane systems using monotertiary-alkyltoluenediamine as a cross linker AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-23 EP claimed
US-5034193-A Automated preparative gas chromatograph AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-07-23 US disclosed
US-5006315-A Preventing condensation of low-volatile effluents-alternately supplying solvent; backpressure means AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-04-09 US disclosed
EP-0330095-A1 Automated preparative gas chromatograph AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-08-30 EP disclosed
EP-0178583-B1 POLYURETHANE SYSTEMS USING MONOTERTIARY-ALKYLTOLUENEDIAMINE AS A CROSS LINKER AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-05-31 EP disclosed
EP-0178583-A1 Polyurethane systems using monotertiary-alkyltoluenediamine as a cross linker AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-23 EP disclosed